 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer16_STD_M11_def2SVPD.in
 Output=26_junionone_conformer16_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-57039.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     57040.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer16_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:50:31 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer16_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.485066000000      1.535508000000      0.995717000000
  C                                                -1.964270000000      0.354337000000      0.169547000000
  C                                                -0.934638000000     -0.307866000000     -0.846345000000
  C                                                 0.477967000000      0.112788000000     -0.654337000000
  C                                                 1.471106000000     -0.598339000000     -0.115965000000
  C                                                 2.851804000000     -0.112191000000      0.077031000000
  O                                                 3.682669000000     -0.839361000000      0.588984000000
  C                                                -3.274545000000      0.684558000000     -0.534829000000
  C                                                -2.024735000000     -1.012418000000      0.905189000000
  C                                                -1.363686000000     -1.694239000000     -0.311922000000
  C                                                 3.216658000000      1.291528000000     -0.361451000000
  H                                                -3.015985000000     -1.360206000000      1.197288000000
  H                                                -1.377025000000     -1.026699000000      1.782146000000
  H                                                -1.206644000000     -0.112214000000     -1.887536000000
  H                                                -0.575354000000     -2.414544000000     -0.105810000000
  H                                                -2.088300000000     -2.168848000000     -0.971807000000
  H                                                -1.347999000000      2.427758000000      0.379001000000
  H                                                -0.540528000000      1.319655000000      1.496298000000
  H                                                -2.223853000000      1.776479000000      1.764262000000
  H                                                -4.046771000000      0.944947000000      0.193127000000
  H                                                -3.639778000000     -0.160746000000     -1.121415000000
  H                                                -3.149481000000      1.533679000000     -1.211412000000
  H                                                 0.689742000000      1.126725000000     -0.981414000000
  H                                                 1.317618000000     -1.613357000000      0.229455000000
  H                                                 3.040069000000      1.424253000000     -1.430781000000
  H                                                 4.267803000000      1.463502000000     -0.144304000000
  H                                                 2.611565000000      2.032515000000      0.165225000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:50:31 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518999   0.000000
     3  C    2.663492   1.590815   0.000000
     4  C    2.932628   2.588755   1.486361   0.000000
     5  C    3.811574   3.576439   2.530896   1.334867   0.000000
     6  C    4.729412   4.839502   3.902314   2.494116   1.476453
     7  O    5.701835   5.786948   4.864379   3.566868   2.333679
     8  C    2.503782   1.523815   2.560686   3.797703   4.933809
     9  C    2.606025   1.553333   2.180040   3.156220   3.665395
    10  C    3.486534   2.188419   1.546519   2.602745   3.045561
    11  C    4.899759   5.291720   4.475091   2.995937   2.584340
    12  H    3.281692   2.258764   3.100945   4.219707   4.736989
    13  H    2.682359   2.202860   2.760687   3.267396   3.449372
    14  H    3.332515   2.241262   1.093776   2.099838   3.247326
    15  H    4.200458   3.109921   2.261762   2.792449   2.736184
    16  H    4.237605   2.772099   2.193155   3.448532   3.983508
    17  H    1.093269   2.173186   3.025885   3.124264   4.165286
    18  H    1.090562   2.172360   2.879605   2.668162   3.213217
    19  H    1.092948   2.152437   3.580759   3.989652   4.777838
    20  H    2.748681   2.164760   3.512181   4.678027   5.737964
    21  H    3.464435   2.176975   2.723066   4.153168   5.227194
    22  H    2.764362   2.168553   2.903462   3.935434   5.205317
    23  H    2.967480   2.994173   2.171383   1.086230   2.082157
    24  H    4.284571   3.827035   2.816791   2.113215   1.083114
    25  H    5.135866   5.361826   4.374940   2.981136   2.877719
    26  H    5.865180   6.337782   5.540397   4.055542   3.474695
    27  H    4.209408   4.873866   4.367632   2.984841   2.881164
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.217049   0.000000
     8  C    6.208167   7.210278   0.000000
     9  C    5.027612   5.718776   2.552529   0.000000
    10  C    4.519349   5.196936   3.059370   1.543770   0.000000
    11  C    1.515194   2.379324   6.521824   5.863851   5.467797
    12  H    6.102742   6.746353   2.692237   1.090346   2.262606
    13  H    4.650456   5.201849   3.449254   1.090315   2.197933
    14  H    4.508938   5.528768   2.596320   3.046137   2.238308
    15  H    4.132756   4.592897   4.132085   2.255833   1.087561
    16  H    5.452937   6.124352   3.120906   2.205558   1.088929
    17  H    4.917405   6.002148   2.754162   3.545371   4.179531
    18  H    3.946190   4.829075   3.464632   2.826808   3.609821
    19  H    5.672400   6.565889   2.753555   2.924996   4.134769
    20  H    6.980068   7.942588   1.092728   2.902919   3.797278
    21  H    6.601459   7.550113   1.091795   2.727789   2.861376
    22  H    6.354872   7.453256   1.092892   3.496808   3.797052
    23  H    2.707348   3.910148   4.013791   3.937460   3.552833
    24  H    2.151850   2.514318   5.191580   3.462523   2.736608
    25  H    2.160926   3.101021   6.420610   6.086572   5.510889
    26  H    2.129988   2.486618   7.592515   6.843073   6.458567
    27  H    2.159921   3.094270   6.078927   5.595931   5.469825
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.950338   0.000000
    13  H    5.574146   1.771857   0.000000
    14  H    4.885185   3.787788   3.785747   0.000000
    15  H    5.308453   2.960806   2.476523   2.978892   0.000000
    16  H    6.363122   2.493887   3.065073   2.417772   1.760489
    17  H    4.761867   4.219057   3.728664   3.407144   4.927465
    18  H    4.191476   3.660458   2.507352   3.734206   4.063521
    19  H    5.861143   3.284467   2.928352   4.235269   4.876412
    20  H    7.292810   2.717460   3.679662   3.676013   4.840070
    21  H    7.049635   2.684065   3.781612   2.551360   3.937227
    22  H    6.427192   3.767523   4.319552   2.634525   4.841172
    23  H    2.607071   4.966284   4.067680   2.439735   3.861054
    24  H    3.520494   4.447572   3.164825   3.620356   2.082702
    25  H    1.091909   7.164897   5.986717   4.539155   5.437205
    26  H    1.087030   7.926334   6.463466   5.957458   6.204586
    27  H    1.092056   6.651694   5.280348   4.836570   5.477796
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.847836   0.000000
    18  H    4.544975   1.768687   0.000000
    19  H    4.803130   1.763585   1.764674   0.000000
    20  H    3.858549   3.084906   3.759309   2.546162   0.000000
    21  H    2.542035   3.768800   4.318490   3.752974   1.765282
    22  H    3.859044   2.564006   3.766183   3.125760   1.767615
    23  H    4.310268   2.774131   2.773057   4.055854   4.883354
    24  H    3.654022   4.843396   3.695965   5.136987   5.943308
    25  H    6.278630   4.851543   4.625949   6.167758   7.286296
    26  H    7.367413   5.721964   5.082550   6.773638   8.337560
    27  H    6.405702   3.984980   3.495084   5.099386   6.746630
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766230   0.000000
    23  H    4.519062   3.867576   0.000000
    24  H    5.339542   5.651098   3.060798   0.000000
    25  H    6.872284   6.194403   2.411325   3.866561   0.000000
    26  H    8.131591   7.493981   3.690080   4.279059   1.778734
    27  H    6.748713   5.944209   2.414258   3.869213   1.760918
                   26         27
    26  H    0.000000
    27  H    1.778400   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2237449           0.5495901           0.5003487
 Leave Link  202 at Thu Aug 12 21:50:31 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       614.7756254778 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:50:32 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.56D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:50:33 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:50:33 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer16_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:50:33 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.237244654038    
 DIIS: error= 3.76D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.237244654038     IErMin= 1 ErrMin= 3.76D-03
 ErrMax= 3.76D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-02 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.76D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 GapD=    0.381 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.10D-03 MaxDP=5.54D-01              OVMax= 2.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.77D-03    CP:  1.11D+00
 E= -465.255649863777     Delta-E=       -0.018405209739 Rises=F Damp=F
 DIIS: error= 2.01D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.255649863777     IErMin= 2 ErrMin= 2.01D-03
 ErrMax= 2.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-04 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.01D-02
 Coeff-Com: -0.294D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.288D-01 0.103D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.64D-03 MaxDP=1.48D-01 DE=-1.84D-02 OVMax= 1.16D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.67D-04    CP:  1.14D+00  1.15D+00
 E= -465.256177683074     Delta-E=       -0.000527819297 Rises=F Damp=F
 DIIS: error= 1.91D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.256177683074     IErMin= 3 ErrMin= 1.91D-03
 ErrMax= 1.91D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.80D-04 BMatP= 7.66D-04
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.91D-02
 Coeff-Com: -0.653D-01 0.541D+00 0.524D+00
 Coeff-En:   0.000D+00 0.145D+00 0.855D+00
 Coeff:     -0.641D-01 0.534D+00 0.531D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.17D-04 MaxDP=1.36D-02 DE=-5.28D-04 OVMax= 6.41D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.51D-04    CP:  1.15D+00  1.16D+00  1.05D+00
 E= -465.256713690202     Delta-E=       -0.000536007128 Rises=F Damp=F
 DIIS: error= 3.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.256713690202     IErMin= 4 ErrMin= 3.46D-04
 ErrMax= 3.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-05 BMatP= 7.66D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.46D-03
 Coeff-Com: -0.150D-01 0.386D-01 0.167D+00 0.810D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.150D-01 0.385D-01 0.166D+00 0.810D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=8.62D-05 MaxDP=4.22D-03 DE=-5.36D-04 OVMax= 1.64D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.40D-05    CP:  1.15D+00  1.17D+00  1.09D+00  1.04D+00
 E= -465.256743126222     Delta-E=       -0.000029436020 Rises=F Damp=F
 DIIS: error= 7.88D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.256743126222     IErMin= 5 ErrMin= 7.88D-05
 ErrMax= 7.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-06 BMatP= 3.00D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-02-0.479D-01-0.155D-01 0.229D+00 0.831D+00
 Coeff:      0.301D-02-0.479D-01-0.155D-01 0.229D+00 0.831D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=3.36D-05 MaxDP=1.77D-03 DE=-2.94D-05 OVMax= 5.21D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.27D-05    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.01D+00
 E= -465.256746316464     Delta-E=       -0.000003190241 Rises=F Damp=F
 DIIS: error= 1.64D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.256746316464     IErMin= 6 ErrMin= 1.64D-05
 ErrMax= 1.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.81D-08 BMatP= 2.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-02-0.107D-01-0.101D-01 0.578D-02 0.146D+00 0.868D+00
 Coeff:      0.125D-02-0.107D-01-0.101D-01 0.578D-02 0.146D+00 0.868D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=7.29D-06 MaxDP=2.91D-04 DE=-3.19D-06 OVMax= 2.63D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.94D-06    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.09D+00
 E= -465.256746514150     Delta-E=       -0.000000197686 Rises=F Damp=F
 DIIS: error= 5.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.256746514150     IErMin= 7 ErrMin= 5.07D-06
 ErrMax= 5.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-08 BMatP= 9.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-03 0.144D-02-0.186D-02-0.273D-01-0.506D-01 0.376D+00
 Coeff-Com:  0.702D+00
 Coeff:      0.134D-03 0.144D-02-0.186D-02-0.273D-01-0.506D-01 0.376D+00
 Coeff:      0.702D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=3.07D-06 MaxDP=1.21D-04 DE=-1.98D-07 OVMax= 7.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.34D-06    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.16D+00  1.05D+00
 E= -465.256746570734     Delta-E=       -0.000000056584 Rises=F Damp=F
 DIIS: error= 1.69D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.256746570734     IErMin= 8 ErrMin= 1.69D-06
 ErrMax= 1.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-09 BMatP= 3.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-03 0.200D-02 0.160D-02-0.666D-02-0.358D-01-0.544D-01
 Coeff-Com:  0.779D-01 0.102D+01
 Coeff:     -0.166D-03 0.200D-02 0.160D-02-0.666D-02-0.358D-01-0.544D-01
 Coeff:      0.779D-01 0.102D+01
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=1.41D-06 MaxDP=6.91D-05 DE=-5.66D-08 OVMax= 5.84D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.61D-07    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.19D+00  1.16D+00  1.27D+00
 E= -465.256746577747     Delta-E=       -0.000000007013 Rises=F Damp=F
 DIIS: error= 4.49D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.256746577747     IErMin= 9 ErrMin= 4.49D-07
 ErrMax= 4.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-10 BMatP= 1.93D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.437D-04 0.286D-03 0.581D-03 0.683D-03-0.295D-02-0.350D-01
 Coeff-Com: -0.606D-01 0.224D+00 0.873D+00
 Coeff:     -0.437D-04 0.286D-03 0.581D-03 0.683D-03-0.295D-02-0.350D-01
 Coeff:     -0.606D-01 0.224D+00 0.873D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=4.69D-07 MaxDP=2.21D-05 DE=-7.01D-09 OVMax= 1.30D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.67D-07    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.19D+00  1.18D+00  1.39D+00  1.12D+00
 E= -465.256746578349     Delta-E=       -0.000000000602 Rises=F Damp=F
 DIIS: error= 1.95D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.256746578349     IErMin=10 ErrMin= 1.95D-07
 ErrMax= 1.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-11 BMatP= 3.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-04-0.230D-03-0.456D-04 0.110D-02 0.464D-02 0.137D-02
 Coeff-Com: -0.362D-01-0.760D-01 0.202D+00 0.903D+00
 Coeff:      0.120D-04-0.230D-03-0.456D-04 0.110D-02 0.464D-02 0.137D-02
 Coeff:     -0.362D-01-0.760D-01 0.202D+00 0.903D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=1.85D-07 MaxDP=1.49D-05 DE=-6.02D-10 OVMax= 5.48D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.19D+00  1.18D+00  1.43D+00  1.21D+00  1.18D+00
 E= -465.256746578408     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 5.84D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.256746578408     IErMin=11 ErrMin= 5.84D-08
 ErrMax= 5.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-12 BMatP= 4.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.754D-05-0.824D-04-0.636D-04 0.158D-03 0.139D-02 0.471D-02
 Coeff-Com: -0.468D-02-0.369D-01-0.667D-01 0.215D+00 0.887D+00
 Coeff:      0.754D-05-0.824D-04-0.636D-04 0.158D-03 0.139D-02 0.471D-02
 Coeff:     -0.468D-02-0.369D-01-0.667D-01 0.215D+00 0.887D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=6.44D-08 MaxDP=4.64D-06 DE=-5.89D-11 OVMax= 1.56D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.47D-08    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.19D+00  1.18D+00  1.44D+00  1.24D+00  1.29D+00
                    CP:  1.17D+00
 E= -465.256746578445     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 2.06D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.256746578445     IErMin=12 ErrMin= 2.06D-08
 ErrMax= 2.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-13 BMatP= 5.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.340D-06 0.148D-04-0.105D-05-0.115D-03-0.338D-03 0.728D-03
 Coeff-Com:  0.281D-02 0.608D-02-0.380D-01-0.696D-01 0.140D+00 0.959D+00
 Coeff:     -0.340D-06 0.148D-04-0.105D-05-0.115D-03-0.338D-03 0.728D-03
 Coeff:      0.281D-02 0.608D-02-0.380D-01-0.696D-01 0.140D+00 0.959D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=2.27D-08 MaxDP=1.49D-06 DE=-3.77D-11 OVMax= 4.78D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.91D-09    CP:  1.15D+00  1.17D+00  1.12D+00  1.09D+00  1.04D+00
                    CP:  1.19D+00  1.18D+00  1.44D+00  1.24D+00  1.33D+00
                    CP:  1.28D+00  1.23D+00
 E= -465.256746578454     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 5.20D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.256746578454     IErMin=13 ErrMin= 5.20D-09
 ErrMax= 5.20D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-14 BMatP= 4.06D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.664D-06 0.998D-05 0.572D-05-0.445D-04-0.184D-03-0.173D-03
 Coeff-Com:  0.904D-03 0.445D-02-0.506D-02-0.317D-01-0.371D-01 0.226D+00
 Coeff-Com:  0.843D+00
 Coeff:     -0.664D-06 0.998D-05 0.572D-05-0.445D-04-0.184D-03-0.173D-03
 Coeff:      0.904D-03 0.445D-02-0.506D-02-0.317D-01-0.371D-01 0.226D+00
 Coeff:      0.843D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=5.49D-09 MaxDP=3.99D-07 DE=-8.19D-12 OVMax= 1.07D-07

 SCF Done:  E(RM11) =  -465.256746578     A.U. after   13 cycles
            NFock= 13  Conv=0.55D-08     -V/T= 2.0124
 KE= 4.595473506519D+02 PE=-2.306739164229D+03 EE= 7.671594415209D+02
 Leave Link  502 at Thu Aug 12 21:53:54 2021, MaxMem=  5368709120 cpu:            1603.3 elap:             201.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.57686052D+02

 Leave Link  801 at Thu Aug 12 21:53:54 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 3.70D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.25D-01 4.58D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 1.92D-02 4.94D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.81D-03 1.26D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.15D-04 2.43D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.07D-05 4.96D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 3.74D-07 9.63D-05.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.26D-08 2.12D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 3.30D-10 2.43D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 8.99D-12 3.53D-07.
      9 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 1.87D-13 5.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.30D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.162822D+03
      2 -0.630725D+01  0.117784D+03
      3  0.726852D+01 -0.407650D+01  0.102486D+03
 Isotropic polarizability for W=    0.085645      127.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.447510D+02 -0.182017D+02  0.409759D+02
      2  -0.102821D+02  0.190742D+02 -0.139430D+02
      3  -0.344690D+02 -0.872542D+00 -0.270328D+02
      4   0.411829D+01 -0.380724D+02 -0.379902D+02
      5   0.333206D+02 -0.374983D+02 -0.762237D+02
      6  -0.162240D+02  0.158154D+01  0.229201D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.424646D+01 -0.394189D+01 -0.855589D+01
      2   0.434287D+02 -0.161807D+02 -0.292903D+02
      3   0.414352D+00  0.214859D+02  0.129658D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.491835D+00  0.155246D+02 -0.237926D+02
      2   0.765526D+01 -0.217661D+02 -0.417548D+02
      3   0.223200D+02  0.277903D+02  0.212743D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.148446D+01 -0.697422D+01  0.185130D+01
      2  -0.697422D+01  0.316462D+01  0.205556D+00
      3   0.185130D+01  0.205556D+00 -0.648534D+00
 OR G Eigenvalues:    -6.9337    -0.3220     8.2872  Iso=    -0.3439
 Eigenvectors:
   (1)   0.793888   0.553415  -0.251941
   (2)   0.144035   0.231390   0.962139
   (3)  -0.590759   0.800119  -0.103987
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3439 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =     -107.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.05D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.07D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.12D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 8.30D-02 5.32D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.46D-03 1.15D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 6.06D-05 8.43D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.23D-06 1.18D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.88D-08 1.02D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.50D-10 1.25D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 2.77D-12 1.59D-07.
     22 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 2.50D-14 1.64D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.10D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.10D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.50D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.162822D+03 -0.630725D+01  0.726852D+01
      2  -0.630725D+01  0.117784D+03 -0.407650D+01
      3   0.726852D+01 -0.407650D+01  0.102486D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.424646D+01 -0.394189D+01 -0.855589D+01
      2   0.434287D+02 -0.161807D+02 -0.292903D+02
      3   0.414352D+00  0.214859D+02  0.129658D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.447510D+02 -0.182017D+02  0.409759D+02
      2  -0.102821D+02  0.190742D+02 -0.139430D+02
      3  -0.344690D+02 -0.872542D+00 -0.270328D+02
      4   0.411829D+01 -0.380724D+02 -0.379902D+02
      5   0.333206D+02 -0.374983D+02 -0.762237D+02
      6  -0.162240D+02  0.158154D+01  0.229201D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.150533D+01 -0.385460D+00 -0.459289D+01  0.605083D+00  0.553066D+00
      2  -0.385460D+00  0.462341D+00  0.255852D+01  0.553066D+00 -0.312885D+01
      3  -0.459289D+01  0.255852D+01  0.165850D+01  0.240024D+01  0.313842D+01
                 6             7             8             9            10 
      1   0.240024D+01 -0.568607D+01  0.271708D+01  0.175548D+01 -0.147644D+02
      2   0.313842D+01  0.271708D+01  0.334834D+01 -0.183320D+01  0.270601D+01
      3  -0.897705D+00  0.175548D+01 -0.183320D+01 -0.218364D+01  0.503070D+01
                11            12            13            14            15 
      1   0.270601D+01  0.503070D+01  0.867220D+01 -0.284462D+01 -0.255334D+01
      2  -0.193071D+01 -0.239221D+01 -0.284462D+01  0.417872D+01 -0.318054D+01
      3  -0.239221D+01 -0.106187D+01 -0.255334D+01 -0.318054D+01  0.162752D+01
                16            17            18            19            20 
      1   0.179347D+02 -0.400352D+01 -0.316498D+01  0.324561D+02 -0.462559D+01
      2  -0.400352D+01 -0.277897D+01  0.196522D+01 -0.462559D+01  0.275257D+01
      3  -0.316498D+01  0.196522D+01  0.633868D+00 -0.832334D+00  0.819375D+00
                21            22            23            24            25 
      1  -0.832334D+00 -0.110331D+02  0.400293D+01  0.154439D+01 -0.605837D+01
      2   0.819375D+00  0.400293D+01  0.191134D+01 -0.195887D+01  0.210008D+01
      3   0.221350D+01  0.154439D+01 -0.195887D+01 -0.232057D+01  0.580262D+01
                26            27            28            29            30 
      1   0.210008D+01  0.580262D+01 -0.483483D+02  0.591215D+01 -0.457210D+01
      2  -0.234405D+01 -0.250574D+01  0.591215D+01 -0.254174D+01  0.417574D-01
      3  -0.250574D+01  0.488634D+01 -0.457210D+01  0.417574D-01 -0.266777D+01
                31            32            33            34            35 
      1   0.144061D+02 -0.541573D+01  0.127841D+01 -0.146993D+02  0.335313D+00
      2  -0.541573D+01 -0.177662D+01  0.137037D+01  0.335313D+00  0.148374D+01
      3   0.127841D+01  0.137037D+01  0.118406D+01 -0.662946D+01  0.694462D+00
                36            37            38            39            40 
      1  -0.662946D+01  0.487626D+02 -0.744239D+01  0.757468D+01 -0.100764D+02
      2   0.694462D+00 -0.744239D+01  0.156614D+01 -0.495543D+00  0.405014D+01
      3  -0.521057D+01  0.757468D+01 -0.495543D+00  0.315225D+01 -0.381161D+00
                41            42            43            44            45 
      1   0.405014D+01 -0.381161D+00  0.157739D+02 -0.132913D+01  0.597256D+01
      2   0.200300D+01 -0.197896D+01 -0.132913D+01 -0.195163D+01 -0.828331D+00
      3  -0.197896D+01 -0.148368D+01  0.597256D+01 -0.828331D+00  0.304384D+01
                46            47            48            49            50 
      1  -0.357312D+02  0.701331D+01 -0.811334D+01  0.571663D+01 -0.343198D+01
      2   0.701331D+01 -0.165577D+01  0.214281D+01 -0.343198D+01 -0.125566D+01
      3  -0.811334D+01  0.214281D+01 -0.175764D+01  0.268911D+01  0.253006D-01
                51            52            53            54            55 
      1   0.268911D+01 -0.113025D+02  0.324189D+01 -0.307583D+01  0.282084D+02
      2   0.253006D-01  0.324189D+01  0.223198D+00  0.851881D+00 -0.631767D+01
      3   0.114494D+01 -0.307583D+01  0.851881D+00 -0.138719D+01  0.595250D+01
                56            57            58            59            60 
      1  -0.631767D+01  0.595250D+01 -0.183712D+02  0.672158D+01 -0.403790D+01
      2   0.291159D+01 -0.143551D+01  0.672158D+01 -0.548719D+01  0.221986D+01
      3  -0.143551D+01  0.251278D+01 -0.403790D+01  0.221986D+01 -0.212894D+01
                61            62            63            64            65 
      1   0.124518D+02 -0.228063D+01  0.653737D+01  0.236165D+01 -0.269441D+00
      2  -0.228063D+01  0.130736D+01 -0.271361D+01 -0.269441D+00  0.130541D+01
      3   0.653737D+01 -0.271361D+01  0.462074D+01 -0.428796D+01  0.260554D+01
                66            67            68            69            70 
      1  -0.428796D+01  0.256196D-01  0.223371D+01  0.242160D+01 -0.712889D+01
      2   0.260554D+01  0.223371D+01 -0.114333D+01  0.444919D+01  0.257256D+01
      3   0.915947D+00  0.242160D+01  0.444919D+01 -0.977541D+00  0.263101D+01
                71            72            73            74            75 
      1   0.257256D+01  0.263101D+01  0.554015D+01  0.206252D+01 -0.333113D+01
      2   0.417087D+01 -0.144253D+01  0.206252D+01  0.598427D+00 -0.163371D+01
      3  -0.144253D+01  0.103857D+01 -0.333113D+01 -0.163371D+01 -0.212095D+01
                76            77            78            79            80 
      1   0.332248D+01 -0.442884D-01 -0.197046D+01 -0.406182D+01 -0.103379D+01
      2  -0.442884D-01 -0.483006D+01  0.309911D+01 -0.103379D+01  0.270185D+01
      3  -0.197046D+01  0.309911D+01  0.987796D+00 -0.216517D+01  0.115180D+01
                81            82            83            84            85 
      1  -0.216517D+01  0.198865D+00  0.146813D+01  0.998352D+00  0.891299D+00
      2   0.115180D+01  0.146813D+01 -0.230597D+01  0.263599D+01 -0.255162D+01
      3  -0.124711D+01  0.998352D+00  0.263599D+01  0.258186D+01  0.218229D+01
                86            87            88            89            90 
      1  -0.255162D+01  0.218229D+01  0.335365D+00  0.365334D+01  0.258677D+01
      2   0.108289D+00  0.142860D+01  0.365334D+01  0.159348D+01 -0.786513D+00
      3   0.142860D+01 -0.397710D+00  0.258677D+01 -0.786513D+00 -0.124976D+01
                91            92            93            94            95 
      1  -0.790649D+01 -0.194367D+01 -0.211636D+01  0.499546D+00  0.357572D+01
      2  -0.194367D+01  0.313660D+01 -0.107491D+00  0.357572D+01  0.420522D+00
      3  -0.211636D+01 -0.107491D+00  0.147703D+01 -0.225868D+00 -0.154265D+01
                96            97            98            99           100 
      1  -0.225868D+00 -0.333063D+01 -0.409655D+00  0.497421D+00 -0.840321D+01
      2  -0.154265D+01 -0.409655D+00 -0.168468D+01 -0.201876D+01 -0.279725D+01
      3  -0.135439D+01  0.497421D+00 -0.201876D+01  0.445492D+01  0.342571D+01
               101           102           103           104           105 
      1  -0.279725D+01  0.342571D+01 -0.174936D+01 -0.200306D+01  0.101185D+01
      2  -0.237653D+01  0.128285D+01 -0.200306D+01 -0.151178D+01  0.787429D+00
      3   0.128285D+01 -0.212139D+01  0.101185D+01  0.787429D+00 -0.869985D+00
               106           107           108           109           110 
      1   0.160156D+01  0.980666D+00 -0.177809D+01  0.160731D+01 -0.426551D+00
      2   0.980666D+00  0.484709D+00 -0.107270D+01 -0.426551D+00  0.951805D+00
      3  -0.177809D+01 -0.107270D+01  0.208284D+01  0.165249D+01 -0.127807D+00
               111           112           113           114           115 
      1   0.165249D+01  0.180757D+00  0.289912D+00  0.906589D-01  0.944709D+00
      2  -0.127807D+00  0.289912D+00  0.160645D-01  0.677510D+00 -0.641324D-01
      3   0.291470D+01  0.906589D-01  0.677510D+00 -0.349472D+00  0.139299D+01
               116           117           118           119           120 
      1  -0.641324D-01  0.139299D+01 -0.419359D+01  0.103327D+01 -0.178228D+01
      2   0.113308D+01 -0.979349D+00  0.103327D+01 -0.551239D+00  0.202313D+00
      3  -0.979349D+00  0.631947D+01 -0.178228D+01  0.202313D+00 -0.171145D+01
               121           122           123           124           125 
      1   0.467005D+01 -0.983894D+00  0.368520D+00 -0.288019D+01 -0.485917D-01
      2  -0.983894D+00  0.413887D+00 -0.123172D+01 -0.485917D-01 -0.951114D+00
      3   0.368520D+00 -0.123172D+01  0.141142D+01 -0.313793D+01  0.117557D+01
               126           127           128           129           130 
      1  -0.313793D+01  0.305310D+01 -0.180675D+01 -0.371667D+00 -0.121369D+01
      2   0.117557D+01 -0.180675D+01  0.331585D+01 -0.126166D+00  0.200968D+01
      3  -0.906575D+01 -0.371667D+00 -0.126166D+00  0.416461D+00 -0.161328D+00
               131           132           133           134           135 
      1   0.200968D+01 -0.161328D+00  0.388941D+00 -0.483674D+00  0.802642D-01
      2  -0.565081D+01 -0.204266D+00 -0.483674D+00  0.638921D+00 -0.902259D+00
      3  -0.204266D+00 -0.709756D+00  0.802642D-01 -0.902259D+00  0.290635D+00
               136           137           138           139           140 
      1  -0.379946D+01 -0.244956D+01 -0.174553D+01 -0.155771D+01 -0.179704D+01
      2  -0.244956D+01 -0.235129D+01 -0.157550D+01 -0.179704D+01 -0.352441D+01
      3  -0.174553D+01 -0.157550D+01 -0.211470D+01 -0.114349D+01 -0.196482D+01
               141           142           143           144           145 
      1  -0.114349D+01 -0.210875D+01 -0.177596D+01 -0.192824D+01  0.614379D+00
      2  -0.196482D+01 -0.177596D+01 -0.258815D+01 -0.206118D+01  0.112253D+01
      3  -0.143549D+01 -0.192824D+01 -0.206118D+01 -0.295022D+01  0.102338D-01
               146           147           148           149           150 
      1   0.112253D+01  0.102338D-01  0.855053D+00  0.286035D+00 -0.286317D+00
      2   0.644975D+00 -0.424173D+00  0.286035D+00  0.783404D+01 -0.163607D+01
      3  -0.424173D+00 -0.505364D-01 -0.286317D+00 -0.163607D+01  0.150904D+01
               151           152           153           154           155 
      1  -0.365363D+00 -0.315128D+00 -0.961293D-02  0.592861D+01 -0.275374D+00
      2  -0.315128D+00 -0.362232D+01  0.167708D+01 -0.275374D+00  0.140398D+01
      3  -0.961293D-02  0.167708D+01 -0.147533D+01  0.192115D+01  0.332992D+00
               156           157           158           159           160 
      1   0.192115D+01 -0.125371D+01  0.910459D+00 -0.110694D+00  0.154507D+01
      2   0.332992D+00  0.910459D+00 -0.220963D+00 -0.112895D+00  0.236995D+00
      3   0.186104D+01 -0.110694D+00 -0.112895D+00 -0.392586D+00  0.158910D+01
               161           162           163           164           165 
      1   0.236995D+00  0.158910D+01 -0.421531D+01  0.184403D+01  0.313253D+01
      2   0.144147D+00  0.407108D+00  0.184403D+01 -0.217439D+01 -0.177846D+01
      3   0.407108D+00  0.241190D+01  0.313253D+01 -0.177846D+01 -0.311231D+01
               166           167           168           169           170 
      1   0.631031D+00 -0.133338D+01 -0.984931D+00  0.283093D+01 -0.153991D+01
      2  -0.133338D+01  0.195117D+01  0.116282D+01 -0.153991D+01  0.165867D+01
      3  -0.984931D+00  0.116282D+01  0.111804D+01 -0.298953D+01  0.244125D+01
               171           172           173           174           175 
      1  -0.298953D+01 -0.750731D+01  0.193066D+01  0.246262D+01  0.180408D+01
      2   0.244125D+01  0.193066D+01 -0.133322D+01 -0.785988D+00 -0.193383D+01
      3   0.511309D+01  0.246262D+01 -0.785988D+00 -0.166542D+01 -0.698281D+00
               176           177           178           179           180 
      1  -0.193383D+01 -0.698281D+00  0.593977D+01 -0.161234D+01 -0.257055D+01
      2   0.130557D+01  0.241559D+00 -0.161234D+01  0.931306D+00  0.929110D+00
      3   0.241559D+00  0.629454D+00 -0.257055D+01  0.929110D+00  0.243748D+01
               181           182           183           184           185 
      1  -0.265809D+01 -0.145080D+01 -0.108636D+01 -0.304405D+01 -0.168914D+01
      2  -0.145080D+01 -0.109817D+01 -0.970586D+00 -0.168914D+01 -0.319522D+01
      3  -0.108636D+01 -0.970586D+00 -0.121604D+01 -0.171384D+01 -0.207122D+01
               186           187           188           189           190 
      1  -0.171384D+01 -0.144615D+01 -0.105916D+01 -0.205789D+01 -0.205299D+00
      2  -0.207122D+01 -0.105916D+01 -0.191375D+01 -0.132439D+01  0.794820D+00
      3  -0.196193D+01 -0.205789D+01 -0.132439D+01 -0.290902D+01 -0.259730D+00
               191           192           193           194           195 
      1   0.794820D+00 -0.259730D+00  0.177650D+01 -0.154905D+01  0.662844D+00
      2   0.258529D+00 -0.334462D+00 -0.154905D+01  0.528273D+01 -0.316370D+01
      3  -0.334462D+00  0.207670D+00  0.662844D+00 -0.316370D+01  0.264727D+01
               196           197           198           199           200 
      1  -0.690183D+00  0.606036D+00 -0.126478D+01 -0.482632D+00  0.132677D+01
      2   0.606036D+00 -0.317725D+01  0.273227D+01  0.132677D+01  0.887435D+00
      3  -0.126478D+01  0.273227D+01 -0.362914D+01 -0.751473D+00 -0.296826D+00
               201           202           203           204           205 
      1  -0.751473D+00  0.131526D+01  0.111712D+01 -0.210845D+00 -0.191347D+01
      2  -0.296826D+00  0.111712D+01  0.537685D+01 -0.183370D+01  0.149637D+00
      3  -0.380096D-01 -0.210845D+00 -0.183370D+01  0.145727D+01  0.736951D+00
               206           207           208           209           210 
      1   0.149637D+00  0.736951D+00  0.346846D+00 -0.115093D+01  0.507594D+00
      2  -0.165683D+01  0.107108D+01 -0.115093D+01 -0.267113D+00  0.217653D-01
      3   0.107108D+01 -0.673386D+00  0.507594D+00  0.217653D-01  0.843405D-01
               211           212           213           214           215 
      1  -0.191799D+01 -0.592486D+00 -0.228210D-01  0.755703D+00 -0.141327D+00
      2  -0.592486D+00 -0.596619D+01  0.144787D+01 -0.141327D+00  0.184272D+01
      3  -0.228210D-01  0.144787D+01 -0.120794D+01 -0.215243D+00 -0.969776D+00
               216           217           218           219           220 
      1  -0.215243D+00  0.131769D+01  0.342235D+00 -0.585182D+00  0.934666D+00
      2  -0.969776D+00  0.342235D+00 -0.799025D+00  0.131647D+00 -0.585689D-01
      3   0.687687D+00 -0.585182D+00  0.131647D+00 -0.503926D+00  0.220397D-01
               221           222           223           224           225 
      1  -0.585689D-01  0.220397D-01 -0.184870D+01 -0.869292D+00  0.748035D+00
      2   0.105998D+01 -0.102933D+01 -0.869292D+00 -0.198273D+01  0.199842D+01
      3  -0.102933D+01  0.100109D+01  0.748035D+00  0.199842D+01 -0.731761D+01
               226           227           228           229           230 
      1   0.100734D+02  0.280137D+01  0.654349D+00  0.157324D+01  0.126582D+01
      2   0.280137D+01  0.176574D+01  0.166952D+00  0.126582D+01  0.873216D+00
      3   0.654349D+00  0.166952D+00  0.117059D+01  0.185663D+00  0.392604D+00
               231           232           233           234           235 
      1   0.185663D+00  0.152791D+01  0.517403D+00  0.120707D+01 -0.748350D+00
      2   0.392604D+00  0.517403D+00  0.693182D+00  0.592576D+00  0.983614D+00
      3   0.290141D+00  0.120707D+01  0.592576D+00  0.139054D+00  0.110542D+01
               236           237           238           239           240 
      1   0.983614D+00  0.110542D+01  0.233753D+01 -0.787479D+00 -0.356336D+00
      2  -0.257623D+01 -0.458060D+00 -0.787479D+00  0.495569D+01  0.146808D+01
      3  -0.458060D+00 -0.102463D+01 -0.356336D+00  0.146808D+01  0.147965D+01
               241           242           243 
      1   0.149009D+01 -0.144773D+00 -0.550335D+00
      2  -0.144773D+00  0.229590D+01  0.175051D+01
      3  -0.550335D+00  0.175051D+01  0.113829D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101477D+02 -0.504283D+01  0.369063D+00 -0.291124D+01 -0.124625D+02
      2   0.132778D+02 -0.268453D+01  0.554266D+01 -0.525871D+01 -0.488129D+01
      3  -0.611706D+01 -0.391711D+01 -0.569972D+01  0.423981D+01 -0.410210D+01
                 6             7             8             9            10 
      1   0.414983D+01 -0.792173D+00  0.121183D+02  0.294099D+01 -0.104170D+02
      2  -0.152847D+01  0.196896D+00 -0.864664D+00  0.181709D+01 -0.293250D+02
      3   0.100708D+02 -0.512295D+01  0.114190D+02 -0.609442D-01  0.420290D+01
                11            12            13            14            15 
      1   0.373493D+01  0.200761D+01  0.395503D+01  0.585263D+01 -0.842252D+01
      2   0.867383D+01  0.604401D+01  0.167573D+02  0.638377D+01 -0.445779D+01
      3  -0.769222D+01 -0.356024D+01  0.207374D+01  0.707266D+01 -0.114772D+02
                16            17            18            19            20 
      1   0.912494D+01  0.872581D-01  0.570697D-01  0.115901D+02 -0.477104D+01
      2   0.138885D+02 -0.496185D+01 -0.434905D+01  0.340388D+02 -0.614020D+01
      3  -0.296869D+01 -0.127991D+02  0.288015D+01 -0.411641D+01 -0.164356D+01
                21            22            23            24            25 
      1  -0.225927D+01 -0.907870D+01 -0.564780D+01  0.575317D-01 -0.107185D+02
      2   0.123720D+01 -0.154237D+02  0.599942D+01  0.386517D+01 -0.188804D+02
      3   0.121160D+01  0.107749D+02 -0.184298D+00 -0.203353D+01 -0.979927D+00
                26            27            28            29            30 
      1   0.830535D+01  0.261965D+01 -0.122360D+02  0.163295D+01  0.520915D+00
      2   0.483608D+01  0.475729D+01 -0.340227D+02  0.256078D+01 -0.780082D+01
      3   0.287001D+00 -0.224713D+01  0.458109D+01  0.299676D+01  0.295824D+01
                31            32            33            34            35 
      1   0.325774D+01  0.373703D+01 -0.239181D+01  0.343585D+01  0.221393D+01
      2   0.778238D+01 -0.309348D+01  0.189475D+01 -0.422773D+02  0.332181D+01
      3   0.181280D+02 -0.180549D+01  0.134530D+01  0.864493D+01  0.567061D+00
                36            37            38            39            40 
      1  -0.963977D+00  0.102583D+02 -0.149549D+01 -0.173364D+01 -0.822297D+01
      2  -0.114586D+02  0.399560D+02 -0.440255D+01  0.140479D+02 -0.494490D+01
      3   0.115209D+01  0.278032D+01 -0.672132D+01 -0.174332D+01  0.742667D+01
                41            42            43            44            45 
      1   0.889857D-01 -0.229389D+01 -0.340314D+01  0.117118D+01 -0.226690D+00
      2  -0.997137D+00  0.113354D+01  0.144636D+02  0.350244D+00  0.806510D+01
      3  -0.101650D+02  0.539888D+01 -0.594154D+01  0.348050D+01 -0.150333D+01
                46            47            48            49            50 
      1  -0.954321D+01 -0.105338D+01  0.792256D+01 -0.117127D+01  0.871201D+01
      2  -0.229871D+02  0.405769D+01 -0.182807D+02  0.150453D+01 -0.192087D+01
      3  -0.832111D+01  0.757513D+01  0.369717D+01  0.188209D+02  0.378723D+01
                51            52            53            54            55 
      1   0.320806D+01  0.466765D+01  0.140999D+02 -0.452734D+01  0.474477D+01
      2   0.386865D+01 -0.281302D+02 -0.143030D+01 -0.987277D+01  0.176903D+02
      3   0.271920D+01  0.120292D+01  0.633759D+01 -0.137042D+01  0.451314D+01
                56            57            58            59            60 
      1   0.150273D+01 -0.160696D+01 -0.193521D+01 -0.310744D+01 -0.441885D+01
      2  -0.404387D+01  0.185513D+02 -0.112269D+02  0.702604D+01 -0.121888D+02
      3  -0.159071D+02 -0.731029D-01 -0.790714D+01  0.173132D+02 -0.443188D+01
                61            62            63            64            65 
      1   0.140171D+01 -0.352249D+00  0.250383D+01  0.357998D+01 -0.340965D+01
      2   0.164000D+02 -0.541200D+01  0.167475D+02  0.165781D+02 -0.975458D+01
      3  -0.215676D+00 -0.882322D+01  0.466993D+01  0.247241D+01  0.273091D+01
                66            67            68            69            70 
      1  -0.361479D+01 -0.509063D+01 -0.342527D+01 -0.449968D+01 -0.597596D+01
      2  -0.579792D+01 -0.897334D+01 -0.155176D+02  0.559295D+01 -0.190076D+02
      3   0.649526D+01  0.132147D+02 -0.287366D+01  0.204304D+02  0.586336D+01
                71            72            73            74            75 
      1   0.785375D+00 -0.452120D+00 -0.141060D+00 -0.344653D+01 -0.758198D+01
      2   0.808442D+01 -0.327085D+01  0.377404D+01 -0.174812D+01  0.135497D+02
      3   0.193675D+02 -0.314245D+01  0.855783D-01 -0.525714D+01 -0.694500D-01
                76            77            78            79            80 
      1   0.132526D+00 -0.336314D+01  0.530064D+01 -0.568975D+01  0.109085D+02
      2   0.243000D+01 -0.730082D+01  0.810621D+00  0.336402D+01 -0.424121D+00
      3   0.215973D+00 -0.123696D+02  0.113349D+02 -0.141604D+00  0.107509D+02
                81            82            83            84            85 
      1   0.139490D+01  0.635750D+00  0.101744D+02  0.753332D+01  0.132412D+02
      2   0.705979D+01 -0.428061D+00 -0.189054D+01 -0.222701D+00 -0.267743D+01
      3   0.794348D+01  0.248917D+01 -0.133158D+02  0.208413D+01 -0.429926D+01
                86            87            88            89            90 
      1   0.451327D+01 -0.734229D+01  0.540684D+01 -0.163269D+01 -0.395507D+01
      2  -0.332887D+01  0.160385D+01 -0.694387D+01  0.288815D+01  0.226150D+01
      3   0.680078D+01 -0.386625D+01  0.347381D+01 -0.709184D+01 -0.955324D+01
                91            92            93            94            95 
      1   0.366100D+01 -0.302454D+01 -0.506285D+01  0.439512D+00  0.295341D+01
      2  -0.104300D+02 -0.667056D+00  0.767634D+01 -0.716960D-01 -0.396251D+01
      3  -0.133374D+01 -0.191456D+02 -0.348159D+01 -0.992799D+01  0.310304D+01
                96            97            98            99           100 
      1  -0.207409D+01  0.261853D+01  0.953760D+01 -0.784003D+01  0.122319D+01
      2  -0.283810D+01 -0.265562D+01 -0.799256D+01  0.162514D+02  0.207062D+01
      3   0.536653D+01 -0.206094D+01  0.793817D+01  0.990441D+01  0.448169D+01
               101           102           103           104           105 
      1  -0.247537D+01 -0.198244D+01 -0.609601D+00 -0.826119D+00 -0.174675D+01
      2  -0.398018D+00  0.362269D+01  0.102882D+01  0.570844D-01  0.125017D+01
      3  -0.512961D+01 -0.990645D+00 -0.509330D+00 -0.174422D+01 -0.142117D-01
               106           107           108           109           110 
      1  -0.103745D+01  0.393825D+00  0.162311D+01  0.135557D+01  0.252260D+01
      2  -0.111567D+01  0.127318D+01 -0.376147D+01 -0.730276D+01  0.991218D+00
      3  -0.105738D+01  0.618785D+00 -0.441541D+00 -0.367594D+01  0.138707D+01
               111           112           113           114           115 
      1   0.382260D+01  0.972927D+00  0.155989D+01 -0.460415D+00  0.199952D+01
      2  -0.819115D+01  0.501018D+00 -0.222821D+01  0.436239D+00 -0.813862D+01
      3  -0.281528D+01  0.196204D+01 -0.142207D+00  0.107797D+01 -0.254063D+01
               116           117           118           119           120 
      1   0.243742D+01  0.671635D+01 -0.156395D+01  0.119221D+01 -0.518849D+00
      2   0.203630D+01 -0.160307D+02 -0.408180D+01  0.128974D+01  0.523575D+00
      3   0.170136D+01 -0.460519D+01  0.893028D+00 -0.163391D+01  0.623664D+00
               121           122           123           124           125 
      1   0.238895D+01 -0.768256D+00  0.107927D+01  0.180670D+01  0.450397D+01
      2   0.552781D+01 -0.331786D+00 -0.765359D+00 -0.348373D+01 -0.792663D+00
      3   0.105175D+01  0.173736D-01 -0.105011D+01  0.485222D+00 -0.105270D+01
               126           127           128           129           130 
      1  -0.288925D+01  0.763985D+00 -0.237587D+01  0.220706D+01 -0.113312D+01
      2   0.459379D+01  0.457219D+00  0.116945D+00  0.354245D+00  0.556290D+00
      3   0.126389D+01 -0.148521D+02  0.838606D+01  0.573306D+00  0.101077D+02
               131           132           133           134           135 
      1   0.222426D+01 -0.355617D+01  0.830781D+00 -0.106217D+01  0.148901D+01
      2   0.363420D+00 -0.346757D+00 -0.125099D+01  0.824344D+00 -0.475795D+00
      3  -0.131702D+02 -0.114305D+00 -0.204095D+01  0.236210D+01 -0.176797D+01
               136           137           138           139           140 
      1  -0.265672D+01 -0.191023D+01 -0.492301D+01 -0.164389D+01 -0.213372D+01
      2  -0.105093D+01  0.756106D+00  0.303878D+01  0.254979D+00  0.138163D+01
      3   0.513203D+01 -0.123394D+00  0.153210D+01  0.265761D+01 -0.289290D+01
               141           142           143           144           145 
      1  -0.308772D+01 -0.365020D+01 -0.126765D+01 -0.615189D+01  0.128438D+01
      2   0.192943D+01 -0.143751D+00  0.193506D+01  0.317993D+01 -0.821505D+00
      3  -0.336929D+00  0.260397D+01 -0.708467D+00  0.137931D+01  0.428047D+01
               146           147           148           149           150 
      1   0.174912D+01 -0.104396D+01  0.100964D+01  0.121133D+02 -0.774954D+01
      2  -0.576963D+00  0.686958D+00 -0.503065D+00  0.797726D+00 -0.119260D+01
      3   0.239578D+01 -0.102284D+01  0.515550D+01  0.137080D+02 -0.320099D+01
               151           152           153           154           155 
      1  -0.623200D+00 -0.597890D+01  0.626185D+01 -0.452809D+01  0.264226D+01
      2  -0.804139D+00 -0.142000D+01  0.174419D+01 -0.144880D+02  0.538727D+00
      3  -0.300029D+01 -0.700897D+01  0.297988D+01  0.131527D+02 -0.795715D+00
               156           157           158           159           160 
      1  -0.347996D+01  0.186623D+01 -0.843324D+00 -0.271672D+00 -0.331259D+01
      2  -0.379264D+01  0.270777D+01 -0.146284D+01  0.673241D+00 -0.683404D+01
      3   0.435911D+01  0.163306D+00  0.135531D+01 -0.512273D+00  0.377092D+01
               161           162           163           164           165 
      1   0.980898D+00 -0.355357D+01 -0.403477D+01 -0.140216D+00  0.460408D+01
      2  -0.729834D+00 -0.497243D+01 -0.224611D-01  0.158905D+01  0.330264D+01
      3  -0.647046D+00  0.393249D+01 -0.420920D+01 -0.262012D+01  0.208491D+01
               166           167           168           169           170 
      1   0.602727D+00  0.180794D+00 -0.237832D+01  0.402270D+01 -0.891399D+00
      2  -0.435627D+00 -0.463282D+00 -0.737267D+00 -0.154918D+01 -0.229533D+01
      3   0.846495D+00  0.135910D+01 -0.268884D+00  0.420114D+01  0.790946D+00
               171           172           173           174           175 
      1  -0.742422D+01 -0.349750D+01  0.889579D+00  0.255032D+01  0.152096D+01
      2  -0.615363D+01 -0.129971D+02  0.438725D+01  0.103741D+02  0.374975D+01
      3  -0.974997D+00 -0.150236D+00 -0.564369D+01 -0.103732D+01 -0.407148D+01
               176           177           178           179           180 
      1  -0.587142D+00 -0.158528D+01  0.304209D+01  0.221094D+00 -0.288531D+01
      2  -0.192751D+01 -0.347029D+01  0.107862D+02 -0.416966D+01 -0.119940D+02
      3   0.344146D+01  0.160458D+00 -0.835102D+00  0.309370D+01  0.135335D+01
               181           182           183           184           185 
      1   0.194957D+01  0.201382D+01  0.117231D+01  0.209347D+01  0.535821D+01
      2   0.186573D+01  0.235501D+01  0.470625D+01  0.292178D+01  0.661122D+01
      3  -0.646636D+01 -0.620260D+01 -0.448358D+01 -0.592291D+01 -0.148752D+02
               186           187           188           189           190 
      1   0.155170D+01  0.204707D+01  0.420930D+01  0.227770D+01 -0.237726D+00
      2   0.685055D+01  0.433274D+01  0.434725D+01  0.929280D+01  0.142782D+01
      3  -0.890854D+01 -0.436727D+01 -0.898525D+01 -0.628511D+01  0.323777D+01
               191           192           193           194           195 
      1  -0.221736D-01  0.196029D-01 -0.458846D-01 -0.176004D+01 -0.231162D+01
      2   0.159317D+01  0.102371D-01 -0.284750D-01  0.105733D+02 -0.952989D+01
      3   0.728112D+00 -0.133505D+01 -0.135553D+01  0.177529D+02 -0.109382D+02
               196           197           198           199           200 
      1   0.899692D+00  0.155329D+01  0.243745D+01 -0.527014D-01 -0.119354D+01
      2   0.201576D+01 -0.937485D+01  0.119623D+02 -0.294986D+00  0.134266D+01
      3   0.318640D+00 -0.116797D+02  0.888869D+01  0.214000D+00 -0.296478D+00
               201           202           203           204           205 
      1  -0.407438D+00 -0.237294D+01 -0.601389D+01 -0.139551D+01 -0.485818D+01
      2  -0.472196D+00  0.185278D+01  0.990766D+00  0.501044D+00 -0.349576D+01
      3   0.283919D+00  0.300867D+01 -0.229901D+01 -0.828037D-01 -0.132349D+01
               206           207           208           209           210 
      1   0.244993D+01 -0.123515D+01  0.104507D+01  0.606524D-01 -0.993334D-01
      2   0.195901D-01  0.390676D+00  0.250686D+01 -0.327794D+00  0.298283D+00
      3   0.498397D+00 -0.903956D+00  0.339266D+01  0.158230D+01 -0.509283D+00
               211           212           213           214           215 
      1  -0.702713D+00  0.699116D+00 -0.350822D+01 -0.182443D+01  0.139009D+00
      2  -0.157443D+00  0.340499D+01 -0.246241D+01 -0.374304D+01 -0.209016D+01
      3   0.663896D+01  0.126037D+02 -0.307535D+01 -0.122425D+01 -0.388026D+01
               216           217           218           219           220 
      1   0.690577D+00  0.609945D-01 -0.336593D+00  0.126775D+01 -0.124028D+01
      2   0.928858D+00 -0.150080D+01  0.844356D+00 -0.175819D+01  0.159143D+01
      3   0.218865D+01 -0.805842D+00  0.253659D+01 -0.178987D+01  0.108835D+01
               221           222           223           224           225 
      1   0.884126D+00 -0.166771D+01 -0.153384D+01 -0.196523D+01  0.126320D+02
      2  -0.324366D+01  0.316584D+01  0.109634D+00  0.680366D+01 -0.252824D+02
      3  -0.411433D+01  0.343015D+01 -0.405279D+00  0.504715D+01 -0.684256D+01
               226           227           228           229           230 
      1  -0.239142D+01 -0.683408D+00 -0.209396D+01 -0.862834D+00 -0.832558D+00
      2   0.626403D+01  0.170864D+01  0.642383D+01  0.159027D+01  0.181449D+01
      3   0.458858D+01 -0.468472D+01  0.677366D+00 -0.134325D+00 -0.120521D+01
               231           232           233           234           235 
      1  -0.135362D+01 -0.135437D+01 -0.715470D-01 -0.357875D+00 -0.100026D+01
      2   0.144610D+01  0.345020D+01  0.180745D+01  0.111300D+01  0.348973D+01
      3  -0.118217D+01  0.374823D+00 -0.219044D+01 -0.843594D+00 -0.730412D+01
               236           237           238           239           240 
      1   0.326564D+01  0.241127D+01  0.189665D+01 -0.506576D+01 -0.408091D+01
      2  -0.221100D+01 -0.242481D+01 -0.105552D+01  0.525610D+01  0.449565D+01
      3   0.115187D+02  0.406939D+01  0.796886D+01 -0.195183D+02 -0.620560D+01
               241           242           243 
      1   0.324309D+00 -0.400164D+01 -0.322085D+01
      2  -0.196941D+01  0.657730D+01  0.382099D+01
      3   0.328624D+01 -0.939330D+01 -0.799391D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.129030D+02 -0.210678D+01  0.661295D+01 -0.409610D+01  0.121805D+01
      2   0.577967D+01 -0.545398D+01 -0.136737D+01 -0.274927D+01 -0.172171D+02
      3  -0.186827D+02  0.756077D+01 -0.524558D+01  0.684537D+01  0.159990D+02
      4  -0.131179D+01 -0.245283D+01 -0.197343D+02 -0.249197D+01  0.112561D+02
      5   0.134750D+02 -0.113559D+02 -0.162398D+02 -0.981259D+01 -0.796517D+01
      6  -0.140682D+02  0.117184D+02  0.102775D+02  0.707094D+01  0.121732D+02
                 6             7             8             9            10 
      1  -0.158543D+02  0.645583D+01 -0.177798D+02 -0.104406D+01 -0.131604D+02
      2   0.209775D+02 -0.165893D+01  0.268205D+02  0.224878D+01  0.525137D+01
      3  -0.512315D+01 -0.479690D+01 -0.904074D+01 -0.120472D+01  0.790898D+01
      4  -0.294517D+01 -0.222783D+02 -0.473704D+00  0.121552D+02  0.178220D+01
      5   0.822838D+01 -0.179785D+02  0.123436D+02  0.122431D+02 -0.240276D+02
      6   0.335314D+00  0.111543D+02 -0.333890D+01 -0.727375D+01  0.772808D+01
                11            12            13            14            15 
      1   0.310860D+01 -0.181485D+02  0.689216D+01  0.100418D+02  0.120883D+02
      2  -0.126140D+01  0.460818D+01 -0.333127D+01  0.532581D+00 -0.646439D+01
      3  -0.184719D+01  0.135403D+02 -0.356089D+01 -0.105744D+02 -0.562395D+01
      4   0.603109D+01  0.124528D+02  0.782191D+01 -0.221521D+02  0.123066D+02
      5   0.983612D+01  0.289872D+01  0.990577D+01  0.173700D+02 -0.660947D+01
      6  -0.733729D+01 -0.278472D+01  0.134334D+00  0.121065D+01 -0.606530D+01
                16            17            18            19            20 
      1  -0.201144D+02  0.155513D+02 -0.100705D+01  0.250510D+02  0.347484D+01
      2   0.248737D+01 -0.133322D+02 -0.339625D+01 -0.808041D+01 -0.565244D+01
      3   0.176271D+02 -0.221906D+01  0.440330D+01 -0.169706D+02  0.217760D+01
      4   0.159879D+02  0.988444D+01 -0.761814D+01  0.121546D+00 -0.405108D+01
      5   0.113189D+02 -0.889019D+01  0.679468D-01  0.275007D+01 -0.111259D+01
      6  -0.618494D+01 -0.183575D+01  0.199534D+01 -0.312040D+01  0.236306D+01
                21            22            23            24            25 
      1   0.617965D+01  0.446044D+01 -0.322188D+01 -0.745415D+01  0.209819D+02
      2   0.419042D+01 -0.488624D+01 -0.633036D+01 -0.137018D+00  0.637757D+01
      3  -0.103701D+02  0.425790D+00  0.955225D+01  0.759116D+01 -0.273594D+02
      4  -0.282125D+01 -0.865459D+01 -0.317833D+01  0.297214D+01 -0.932035D+01
      5  -0.373061D+01 -0.301218D+01  0.569891D+00  0.574969D+01 -0.132523D+02
      6   0.302764D+01 -0.333928D+00 -0.497533D+01  0.256319D+01  0.321721D+01
                26            27            28            29            30 
      1  -0.957827D+01  0.183846D+02 -0.999182D+02  0.980900D+01 -0.129010D+02
      2   0.454852D+01  0.927301D+01  0.398390D+02 -0.565006D+01  0.418913D+01
      3   0.502975D+01 -0.276576D+02  0.600792D+02 -0.415894D+01  0.871186D+01
      4   0.474126D+01  0.749505D+01  0.164102D+02 -0.100977D+02  0.119218D+01
      5   0.908106D+01 -0.158379D+02 -0.641616D+01 -0.592798D+00 -0.914802D+01
      6   0.433134D+00 -0.561595D+00  0.723099D+01  0.218586D+01  0.164842D+01
                31            32            33            34            35 
      1   0.390857D+02 -0.570039D+01  0.238098D+01 -0.409332D+02 -0.111215D+01
      2  -0.186855D+02  0.322507D+01 -0.370384D-01  0.104959D+02  0.315347D+01
      3  -0.204002D+02  0.247532D+01 -0.234394D+01  0.304373D+02 -0.204133D+01
      4  -0.114856D+02 -0.203591D+01  0.149365D+01  0.907014D+01 -0.301638D+01
      5   0.767106D+01  0.300715D+01  0.134128D+01 -0.830028D+01 -0.187761D+01
      6   0.129805D+01  0.913414D+01 -0.117809D+01 -0.728574D-01  0.299778D+01
                36            37            38            39            40 
      1  -0.289634D+02  0.148426D+03 -0.223315D+02  0.299989D+02 -0.165214D+02
      2  -0.404467D+00 -0.651572D+02  0.939467D+01 -0.107569D+02  0.343831D+01
      3   0.293678D+02 -0.832690D+02  0.129369D+02 -0.192420D+02  0.130831D+02
      4   0.248260D+01 -0.431485D+02  0.139879D+02 -0.594133D+01  0.150979D+02
      5  -0.141765D+02  0.254916D+02 -0.193985D+01  0.203212D+02  0.436694D+01
      6   0.546471D+01 -0.108234D+02 -0.623177D+00 -0.439478D+01 -0.165037D+01
                41            42            43            44            45 
      1   0.100314D+02 -0.814428D+01  0.393683D+02 -0.927283D+01  0.106308D+02
      2  -0.855177D+01  0.277056D+01 -0.175160D+02  0.776382D+01 -0.799430D+01
      3  -0.147966D+01  0.537371D+01 -0.218523D+02  0.150902D+01 -0.263654D+01
      4   0.853868D+01 -0.585305D+01 -0.640654D+01 -0.644300D+01 -0.402098D+01
      5  -0.799164D+01 -0.166987D+01  0.284224D+02 -0.442937D+01  0.763862D+01
      6   0.552834D+01  0.385089D+01 -0.921611D+01  0.581862D+01 -0.150350D+00
                46            47            48            49            50 
      1  -0.134755D+03  0.332546D+02 -0.265831D+02  0.389020D+02 -0.215767D+02
      2   0.621583D+02 -0.154572D+02  0.158425D+02 -0.252318D+02  0.546386D+01
      3   0.725966D+02 -0.177975D+02  0.107406D+02 -0.136702D+02  0.161129D+02
      4   0.596529D+02 -0.308967D+02  0.164240D+02 -0.328143D+02 -0.727772D+01
      5  -0.443574D+02  0.126326D+02 -0.262360D+02  0.222491D+02 -0.137138D+01
      6   0.168755D+02 -0.638994D+01  0.308817D+01  0.565264D+00  0.416675D+01
                51            52            53            54            55 
      1   0.132680D+02 -0.520038D+02  0.142139D+02 -0.181592D+02  0.145017D+03
      2  -0.119075D+02  0.255536D+02 -0.425013D+01  0.635202D+01 -0.714783D+02
      3  -0.136049D+01  0.264503D+02 -0.996377D+01  0.118072D+02 -0.735387D+02
      4  -0.112755D+01  0.308533D+02 -0.452630D+01  0.708920D+01 -0.607202D+02
      5   0.517193D+01 -0.164099D+02  0.498136D+01 -0.154063D+02  0.390750D+02
      6  -0.517997D+01  0.151197D+01  0.659081D+00  0.597015D+01 -0.845459D+01
                56            57            58            59            60 
      1  -0.370909D+02  0.276675D+02 -0.776829D+02  0.275885D+02 -0.132385D+02
      2   0.142633D+02 -0.177848D+02  0.313973D+02 -0.265947D+01  0.822359D+01
      3   0.228275D+02 -0.988271D+01  0.462855D+02 -0.249290D+02  0.501494D+01
      4   0.388849D+02 -0.129472D+02  0.634076D+02 -0.471953D+02  0.171038D+02
      5  -0.110753D+02  0.315390D+02 -0.239587D+02  0.146313D+02 -0.172510D+02
      6   0.432535D+01 -0.572812D+01  0.100225D+02 -0.648573D+01  0.117066D+02
                61            62            63            64            65 
      1   0.499234D+02 -0.756012D+01  0.249141D+02 -0.106690D+02  0.131228D+01
      2  -0.295181D+02  0.550797D+01 -0.215437D+02  0.376415D+01  0.196190D+01
      3  -0.204053D+02  0.205215D+01 -0.337042D+01  0.690487D+01 -0.327418D+01
      4  -0.215294D+02  0.135655D+02 -0.209479D+02  0.809972D+00 -0.829391D+01
      5   0.501696D+02 -0.196614D+02  0.366871D+02  0.325145D+02 -0.195711D+02
      6  -0.973033D+01  0.109407D+02 -0.948643D+01 -0.100274D+02  0.268596D+01
                66            67            68            69            70 
      1   0.276153D+02 -0.259304D+01 -0.505859D+01 -0.265019D+02  0.395914D+02
      2  -0.109670D+02  0.530860D+01  0.493692D+01  0.182934D+02 -0.156062D+02
      3  -0.166483D+02 -0.271556D+01  0.121666D+00  0.820850D+01 -0.239853D+02
      4  -0.218030D+02 -0.151253D+02  0.589168D+01 -0.258343D+02 -0.236740D+02
      5  -0.746326D+01 -0.185621D+02 -0.283122D+02  0.397894D+01 -0.181466D+02
      6  -0.306011D+00 -0.156005D+01  0.965238D+01 -0.108475D+02  0.248690D+01
                71            72            73            74            75 
      1  -0.288513D+02 -0.100475D+02 -0.165690D+02 -0.120721D+02  0.203207D+02
      2   0.199449D+02  0.455473D+01  0.100611D+02  0.623297D+01  0.277161D+01
      3   0.890641D+01  0.549276D+01  0.650792D+01  0.583910D+01 -0.230923D+02
      4  -0.236379D+02  0.826324D+01 -0.213880D+02 -0.902497D+01  0.130740D+02
      5   0.714772D+01 -0.548682D+01  0.227736D+02  0.123016D+02 -0.225410D+01
      6  -0.117058D+02  0.256237D+01  0.107283D+02  0.856294D+01  0.312771D+01
                76            77            78            79            80 
      1  -0.129033D+02 -0.875309D+01  0.125243D+02  0.139244D+02  0.778838D+01
      2   0.940500D+01  0.255648D+01 -0.129134D+02  0.336138D+01 -0.680681D+01
      3   0.349834D+01  0.619660D+01  0.389100D+00 -0.172858D+02 -0.981572D+00
      4  -0.565247D+01  0.208076D+02 -0.855002D+01  0.886410D+01 -0.416965D+01
      5   0.141509D+02 -0.153314D+02 -0.596352D+01  0.140624D+01 -0.427994D+01
      6   0.194407D+01 -0.122603D+02  0.252989D+01  0.464188D+01 -0.642017D+00
                81            82            83            84            85 
      1   0.135788D+02  0.419835D+01 -0.114577D+02  0.429168D+01 -0.918869D+01
      2  -0.296656D+01 -0.715907D+01  0.170669D+02 -0.114679D+02  0.121676D+02
      3  -0.106122D+02  0.296072D+01 -0.560911D+01  0.717619D+01 -0.297896D+01
      4   0.924678D-01 -0.467489D+01 -0.503949D+01 -0.114821D+02 -0.303808D+00
      5  -0.673629D+00 -0.630307D+01 -0.122331D+02 -0.104821D+02 -0.115715D+02
      6   0.304770D+01 -0.560895D+01 -0.131558D+02 -0.125322D+02 -0.871992D+01
                86            87            88            89            90 
      1   0.396090D+01 -0.342195D+01  0.875817D+01 -0.420603D+01 -0.120784D+02
      2  -0.154148D+01 -0.311284D+00 -0.169080D+02 -0.244039D+01  0.839713D+01
      3  -0.241942D+01  0.373324D+01  0.814984D+01  0.664642D+01  0.368123D+01
      4   0.620268D+01 -0.947034D+01 -0.119074D+02 -0.154876D+02 -0.755812D+01
      5  -0.411009D+01  0.745643D+00 -0.126775D+02 -0.199694D+01  0.224180D+01
      6  -0.131739D+01 -0.192317D+01 -0.133438D+02 -0.104368D+01  0.666112D+00
                91            92            93            94            95 
      1  -0.544399D+02 -0.273693D+02 -0.136265D+02 -0.126137D+02  0.202679D+02
      2   0.223111D+02  0.221411D+02  0.106351D+02  0.137716D+02 -0.905589D+01
      3   0.321288D+02  0.522825D+01  0.299134D+01 -0.115786D+01 -0.112120D+02
      4  -0.241301D+02  0.139538D+02 -0.527239D+01  0.196812D+02  0.115073D+02
      5  -0.118687D+02 -0.216107D+01  0.111258D+02 -0.355668D+01 -0.105599D+02
      6  -0.571486D+01  0.107625D+01  0.588421D+01 -0.108882D+01 -0.943292D+01
                96            97            98            99           100 
      1   0.264561D+01 -0.214763D+02  0.556063D+00  0.187703D+02  0.474119D+02
      2  -0.740556D+01  0.112868D+02 -0.108120D+02 -0.391200D+01 -0.248101D+02
      3   0.475995D+01  0.101895D+02  0.102560D+02 -0.148583D+02 -0.226018D+02
      4  -0.858686D+01 -0.810521D+01 -0.890611D+01 -0.978900D+01  0.335456D+02
      5  -0.627672D+01  0.480151D+01 -0.117354D+02  0.289635D+02 -0.327453D+02
      6  -0.125889D+01  0.224637D+01 -0.696133D+01  0.133770D+02 -0.130055D+02
               101           102           103           104           105 
      1   0.110374D+02 -0.143199D+02  0.895833D+01  0.630576D+01 -0.257902D+01
      2  -0.240133D+01  0.967305D+01 -0.129304D+01  0.204017D+01  0.147337D+01
      3  -0.863611D+01  0.464686D+01 -0.766529D+01 -0.834592D+01  0.110565D+01
      4   0.212588D+02 -0.137672D+02  0.183475D+02  0.135967D+02 -0.744952D+01
      5  -0.117140D+02  0.198436D+02 -0.898043D+01 -0.741918D+01  0.636708D+01
      6  -0.877910D+01  0.806419D+01 -0.770221D+01 -0.520393D+01  0.582516D+01
               106           107           108           109           110 
      1  -0.101852D+02 -0.256867D+01  0.442701D+01 -0.579868D+01  0.515428D+01
      2   0.743581D+01  0.273417D+01 -0.676183D+01 -0.155687D+01 -0.342921D+01
      3   0.274941D+01 -0.165501D+00  0.233481D+01  0.735555D+01 -0.172506D+01
      4  -0.962456D+01 -0.557273D+01  0.934772D+01 -0.306960D+00 -0.987155D+00
      5   0.170945D+02  0.763013D+01 -0.145299D+02 -0.831681D+00 -0.130799D+01
      6   0.705509D+01  0.520747D+01 -0.761674D+01 -0.467370D+01  0.312882D+01
               111           112           113           114           115 
      1  -0.148015D+02  0.197775D+01 -0.485501D+01  0.101762D+01 -0.100346D+02
      2  -0.220304D+01 -0.170653D+01  0.908602D+00 -0.149357D+01  0.822032D+00
      3   0.170046D+02 -0.271218D+00  0.394641D+01  0.475953D+00  0.921254D+01
      4  -0.314542D+01  0.115954D+01 -0.159263D+01 -0.131080D+01 -0.260728D+01
      5  -0.174977D+01 -0.127096D+01  0.279815D+00  0.779211D+00  0.185355D+01
      6  -0.724036D+01  0.183014D+01 -0.198814D+01  0.684616D+01 -0.229912D+01
               116           117           118           119           120 
      1   0.437875D+01 -0.252850D+02 -0.972405D+00  0.157808D+00 -0.930571D+00
      2  -0.113747D+01 -0.898438D+01 -0.664775D+01  0.586008D+00 -0.489787D+01
      3  -0.324128D+01  0.342694D+02  0.762016D+01 -0.743816D+00  0.582844D+01
      4  -0.350503D+01  0.117911D+01 -0.105150D+01  0.357221D+01 -0.529719D+00
      5   0.307931D+01 -0.140297D+02  0.799603D+01 -0.181711D+01  0.121286D+02
      6   0.727497D+01 -0.155933D+02 -0.616256D+00  0.879064D+00 -0.598013D-02
               121           122           123           124           125 
      1   0.458247D+01 -0.503599D+01  0.348972D+01 -0.660499D+01  0.165251D+01
      2  -0.142195D+01 -0.162763D+00  0.311917D+01 -0.662541D+01  0.341371D+01
      3  -0.316052D+01  0.519875D+01 -0.660889D+01  0.132304D+02 -0.506623D+01
      4   0.273386D+01 -0.100297D+01  0.330767D+01  0.807425D+00  0.275636D+01
      5  -0.235425D+01  0.396032D+01 -0.314405D+01  0.160586D+02 -0.350871D+01
      6   0.167598D+01 -0.128855D+01  0.727546D+01  0.529580D+00  0.546223D+01
               126           127           128           129           130 
      1  -0.270056D+02 -0.841689D+01  0.158129D+02  0.286476D+00  0.977938D+01
      2  -0.208849D+02  0.118057D+02 -0.222294D+02  0.887023D+00 -0.136623D+02
      3   0.478905D+02 -0.338881D+01  0.641649D+01 -0.117350D+01  0.388295D+01
      4  -0.210913D+01 -0.698351D+01  0.425389D+01  0.178589D+01  0.581127D+01
      5   0.247256D+02 -0.376426D+00  0.153326D+01  0.131732D+01  0.170461D+01
      6  -0.268083D+00  0.162588D+00  0.632511D+00 -0.257407D+01  0.487374D+00
               131           132           133           134           135 
      1  -0.251238D+02 -0.216276D+00 -0.212494D+01  0.342372D+01 -0.388930D+01
      2   0.376907D+02  0.298112D+00  0.306061D+01 -0.446794D+01  0.397427D+01
      3  -0.125668D+02 -0.818364D-01 -0.935670D+00  0.104422D+01 -0.849761D-01
      4  -0.269237D+00  0.968373D+00  0.252571D+00  0.787636D+00  0.481315D+00
      5   0.897751D-01  0.675947D+00  0.244954D+01  0.130815D+01 -0.705446D+00
      6   0.449020D+00  0.580140D+01 -0.109673D+01  0.688333D+01 -0.180501D+01
               136           137           138           139           140 
      1   0.893264D+01  0.122389D+01  0.186255D+01  0.150930D+01 -0.673995D+01
      2   0.173340D+01  0.630310D+01  0.191272D+01  0.462190D+01  0.158764D+02
      3  -0.106660D+02 -0.752700D+01 -0.377527D+01 -0.613120D+01 -0.913645D+01
      4   0.216986D+02  0.194454D+02  0.116285D+02  0.150495D+02  0.194532D+02
      5   0.130730D+02  0.944472D+01  0.124656D+02  0.685445D+01  0.972504D+01
      6   0.102890D+02  0.101241D+02  0.108935D+02  0.771801D+01  0.135180D+02
               141           142           143           144           145 
      1  -0.351035D+01  0.515660D+00 -0.522309D+01 -0.327042D+01 -0.357937D+01
      2   0.704043D+01  0.232084D+01  0.835491D+01  0.145413D+01  0.498502D+01
      3  -0.353009D+01 -0.283650D+01 -0.313182D+01  0.181629D+01 -0.140565D+01
      4   0.107669D+02  0.123385D+02  0.140143D+02  0.134231D+02 -0.135817D+01
      5   0.722788D+01  0.120795D+02  0.103630D+02  0.146450D+02  0.227399D+00
      6   0.103006D+02  0.109496D+02  0.142254D+02  0.165542D+02 -0.518936D-01
               146           147           148           149           150 
      1  -0.565127D+01  0.976286D+00 -0.364734D+01 -0.240964D+02  0.427726D+01
      2   0.687787D+01 -0.149575D+01  0.337335D+01  0.471523D+02 -0.113835D+02
      3  -0.122660D+01  0.519464D+00  0.273997D+00 -0.230559D+02  0.710624D+01
      4   0.565672D+01  0.304784D+00  0.644697D+01 -0.189930D+02  0.332191D+01
      5   0.192892D+01  0.225531D+01  0.149739D+01  0.541346D+01 -0.459042D+01
      6  -0.108828D+01 -0.509968D-02 -0.979560D+00 -0.161245D+01  0.768595D+01
               151           152           153           154           155 
      1   0.227135D+01  0.105925D+02 -0.410182D+01 -0.974347D+01 -0.477970D+01
      2  -0.144502D+01 -0.205443D+02  0.795286D+01 -0.228316D+01  0.580969D+01
      3  -0.826328D+00  0.995184D+01 -0.385104D+01  0.120266D+02 -0.102999D+01
      4  -0.192978D+01  0.889886D+01 -0.487096D+01  0.138123D+02 -0.571500D+00
      5   0.201068D+01 -0.551024D+01  0.364016D+01  0.672527D+01  0.359695D+00
      6  -0.436403D+00  0.734678D+01 -0.712237D+01  0.482970D+01  0.391879D+01
               156           157           158           159           160 
      1  -0.104558D+02  0.109700D+00 -0.222599D+01  0.284596D+01 -0.868530D+01
      2  -0.681620D+00  0.264607D+01  0.192048D+01 -0.417342D+00 -0.860224D+00
      3   0.111374D+02 -0.275577D+01  0.305508D+00 -0.242862D+01  0.954552D+01
      4   0.606412D+01 -0.819137D+00  0.211975D+01  0.561314D+00  0.706209D+01
      5   0.361101D+01 -0.512769D-01  0.217647D+01  0.620616D+00  0.492051D+01
      6   0.558320D+01  0.237603D+01 -0.145889D+01  0.145133D+01  0.368484D+01
               161           162           163           164           165 
      1   0.685698D-01 -0.100456D+02  0.109373D+02  0.255925D+00 -0.255012D+01
      2  -0.841168D+00 -0.271944D+01 -0.106737D+02 -0.157632D+01  0.745016D+01
      3   0.772598D+00  0.127651D+02 -0.263596D+00  0.132039D+01 -0.490004D+01
      4   0.632959D+00  0.304502D+01 -0.180218D+02  0.145833D+02  0.145769D+02
      5  -0.130059D+01  0.145178D+00 -0.231689D+02  0.113234D+02  0.218380D+02
      6   0.378922D+01  0.657123D+01  0.123759D+02 -0.109817D+02 -0.130639D+02
               166           167           168           169           170 
      1   0.897726D+00 -0.292674D+01 -0.202703D+01 -0.357693D+01 -0.335754D+01
      2  -0.210178D+01  0.539497D+01  0.103724D+01  0.834527D+01 -0.884788D+00
      3   0.120406D+01 -0.246823D+01  0.989789D+00 -0.476833D+01  0.424233D+01
      4   0.974131D+01 -0.109174D+02 -0.806087D+01  0.146214D+02 -0.110895D+02
      5   0.574306D+01 -0.773733D+01 -0.635554D+01  0.215398D+02 -0.127677D+02
      6  -0.758602D+01  0.817968D+01  0.989925D+01 -0.125537D+02  0.140594D+02
               171           172           173           174           175 
      1  -0.642493D+01  0.670213D+02 -0.135984D+02 -0.200612D+02 -0.121377D+02
      2  -0.989019D+01 -0.314928D+02  0.386642D+01  0.895799D+01  0.237186D+01
      3   0.163151D+02 -0.355285D+02  0.973194D+01  0.111032D+02  0.976581D+01
      4  -0.154782D+02 -0.226216D+02  0.144966D+02  0.835837D+01  0.186018D+02
      5  -0.278869D+02 -0.207447D+02  0.639367D+01  0.158758D+02  0.556161D+01
      6   0.212069D+02  0.469895D+01 -0.146054D+01 -0.310573D+01 -0.158709D+01
               176           177           178           179           180 
      1   0.994891D+01  0.547252D+01 -0.402562D+02  0.101801D+02  0.159249D+02
      2  -0.239201D+01 -0.175919D+01  0.191564D+02 -0.356580D+01 -0.900643D+01
      3  -0.755690D+01 -0.371333D+01  0.210998D+02 -0.661428D+01 -0.691848D+01
      4  -0.117094D+02 -0.361929D+01  0.160248D+02 -0.937544D+01 -0.825767D+01
      5  -0.265518D+01 -0.485943D+01  0.231762D+02 -0.735256D+01 -0.209754D+02
      6   0.822040D+00  0.401786D+01 -0.480807D+01  0.442676D+01  0.491136D+01
               181           182           183           184           185 
      1   0.219042D+02  0.106471D+02  0.807814D+01  0.220853D+02  0.862973D+01
      2  -0.136656D+02 -0.718408D+01 -0.707980D+01 -0.140643D+02 -0.593641D+01
      3  -0.823855D+01 -0.346301D+01 -0.998342D+00 -0.802104D+01 -0.269332D+01
      4   0.104704D+02  0.100570D+02  0.779401D+01  0.141275D+02  0.231669D+02
      5   0.113484D+02  0.911208D+01  0.122247D+02  0.153083D+02  0.149748D+02
      6   0.304769D+01  0.152607D+01  0.118909D+01  0.245727D+01  0.503074D+01
               186           187           188           189           190 
      1   0.102721D+02  0.103538D+02  0.683871D+01  0.931488D+01  0.502546D+00
      2  -0.101456D+02 -0.982989D+01 -0.768997D+01 -0.123373D+02  0.570174D+00
      3  -0.126534D+00 -0.523881D+00  0.851265D+00  0.302239D+01 -0.107272D+01
      4   0.142637D+02  0.841677D+01  0.132555D+02  0.906171D+01 -0.486378D+01
      5   0.154850D+02  0.184862D+02  0.104810D+02  0.221849D+02  0.870374D+00
      6   0.496866D+01  0.109378D+01  0.552105D+01  0.247171D+01 -0.240406D+01
               191           192           193           194           195 
      1  -0.772893D+01  0.326246D+01 -0.953047D+01 -0.867321D+01  0.775772D+01
      2   0.448818D+01 -0.133364D+01  0.282513D+01  0.139005D+02 -0.533369D+01
      3   0.324076D+01 -0.192882D+01  0.670534D+01 -0.522734D+01 -0.242403D+01
      4   0.299240D+01 -0.167860D+00  0.145980D+02 -0.330999D+02  0.198935D+02
      5  -0.448092D+00  0.249773D+01 -0.668090D+01  0.196118D+02 -0.169789D+02
      6  -0.109825D+01  0.708202D+00  0.426918D+01 -0.176155D+02  0.144932D+02
               196           197           198           199           200 
      1   0.353318D+01  0.846343D+01 -0.507808D+01 -0.148308D+01  0.141435D+01
      2  -0.251013D+01 -0.539423D+01 -0.143697D+01 -0.250156D+00  0.576148D-01
      3  -0.102306D+01 -0.306920D+01  0.651505D+01  0.173324D+01 -0.147196D+01
      4  -0.590227D+01  0.202487D+02 -0.168253D+02  0.305013D+01  0.511726D+01
      5   0.116488D+02 -0.169211D+02  0.228612D+02 -0.144605D+01 -0.228013D+01
      6  -0.393489D+01  0.146270D+02 -0.148805D+02 -0.222255D+01 -0.114958D+01
               201           202           203           204           205 
      1  -0.117082D+01  0.164341D+01 -0.120345D+02  0.612570D+01 -0.609984D+00
      2   0.477371D+00  0.124517D-01  0.108906D+02 -0.184292D+01  0.311371D+01
      3   0.693453D+00 -0.165586D+01  0.114386D+01 -0.428279D+01 -0.250372D+01
      4  -0.132462D+01  0.511210D+01  0.833801D+01 -0.349620D+01 -0.872146D+00
      5   0.180123D+01 -0.286374D+01 -0.501306D+01  0.319430D+01  0.184018D+01
      6   0.709312D+00 -0.124854D+01 -0.112227D+02  0.695038D+01  0.201176D+01
               206           207           208           209           210 
      1   0.509235D+01 -0.265228D+01 -0.985644D+00 -0.237441D+01  0.976548D+00
      2  -0.225387D+01  0.988005D+00  0.271592D+01  0.150420D+01 -0.528835D+00
      3  -0.283848D+01  0.166428D+01 -0.173028D+01  0.870212D+00 -0.447713D+00
      4  -0.194388D+01  0.972179D+00 -0.150625D+01  0.445753D+01 -0.113931D+01
      5   0.227024D+01 -0.933798D+00  0.111724D+01 -0.578194D+00  0.630018D+00
      6   0.553838D+01 -0.453594D+01 -0.999026D+00  0.809323D+00  0.879213D-01
               211           212           213           214           215 
      1  -0.489594D+01 -0.188282D+02  0.454439D+01  0.276088D+01  0.582100D+01
      2   0.281101D+01  0.238519D+02 -0.406307D+01 -0.404800D+00 -0.578449D+01
      3   0.208493D+01 -0.502364D+01 -0.481318D+00 -0.235608D+01 -0.365121D-01
      4   0.270292D+01 -0.164775D+02  0.374056D+01 -0.185324D+01  0.569671D+01
      5  -0.696824D+00  0.306330D+01 -0.255264D+01 -0.476783D+00 -0.243942D+01
      6   0.793131D+00 -0.335327D+01  0.487429D+01  0.150740D+01  0.421776D+01
               216           217           218           219           220 
      1  -0.461821D+01  0.558127D+01  0.584426D+01 -0.658995D+01  0.404689D+01
      2   0.355930D+01 -0.432969D+01 -0.451944D+01  0.228358D+01 -0.227791D+01
      3   0.105890D+01 -0.125157D+01 -0.132482D+01  0.430637D+01 -0.176898D+01
      4  -0.298042D+01  0.287577D+01 -0.255585D+01 -0.125766D+01  0.144910D+01
      5   0.211502D+01 -0.398436D+01  0.197614D+00  0.580527D+00 -0.972461D-01
      6  -0.344165D+01 -0.239562D+01  0.853221D+00 -0.194008D+01 -0.105062D+01
               221           222           223           224           225 
      1  -0.732449D+01  0.403276D+01 -0.834208D+01  0.355239D+01 -0.169043D+02
      2   0.485534D+01 -0.332176D+01  0.490305D+01 -0.147611D+01 -0.771071D+01
      3   0.246915D+01 -0.710999D+00  0.343903D+01 -0.207628D+01  0.246150D+02
      4   0.561136D+01 -0.611396D+01 -0.871561D+01 -0.132804D+02  0.117546D+02
      5  -0.643278D+01  0.614924D+01  0.100575D+02  0.135680D+02 -0.472865D+02
      6  -0.451024D+01  0.841091D+01  0.329327D+01  0.114097D+02 -0.228597D+02
               226           227           228           229           230 
      1   0.865436D+02  0.199045D+02  0.553035D+01  0.973955D+01  0.935843D+01
      2  -0.391439D+02 -0.556820D+01 -0.226760D+01 -0.523775D+00 -0.943995D+00
      3  -0.473997D+02 -0.143363D+02 -0.326276D+01 -0.921577D+01 -0.841444D+01
      4   0.417772D+02  0.216843D+02  0.293533D+01  0.167473D+02  0.105798D+02
      5   0.110375D+01  0.534040D+00  0.117549D+02  0.874094D+00  0.221598D+01
      6   0.260590D+01  0.279722D+00  0.396317D+01 -0.317149D-01  0.133409D+01
               231           232           233           234           235 
      1   0.444078D+00  0.121831D+02  0.258039D+01  0.805878D+01 -0.684267D+01
      2   0.109065D+01 -0.555785D+01  0.602877D+00 -0.492011D+01  0.720550D+01
      3  -0.153473D+01 -0.662523D+01 -0.318327D+01 -0.313867D+01 -0.362830D+00
      4   0.283931D+01  0.702094D+01  0.561042D+01  0.636000D+01 -0.226945D+00
      5   0.218277D+01  0.121997D+02  0.472481D+01  0.193757D+01  0.499767D+01
      6   0.193970D+01  0.419253D+01  0.283838D+01  0.631703D+00  0.361386D+01
               236           237           238           239           240 
      1   0.157396D+02  0.817078D+01  0.153453D+02 -0.236989D+02 -0.752154D+01
      2  -0.159660D+02 -0.589246D+01 -0.106243D+02  0.306393D+02  0.917742D+01
      3   0.226455D+00 -0.227831D+01 -0.472100D+01 -0.694043D+01 -0.165588D+01
      4  -0.867804D+01  0.666080D+00  0.153227D+01  0.225244D+02  0.614701D+01
      5  -0.148700D+01 -0.492007D+01 -0.241796D+01  0.781011D+01  0.835366D+01
      6  -0.300585D+01 -0.457128D+01 -0.183492D+01  0.744975D+01  0.721211D+01
               241           242           243 
      1   0.948098D+01 -0.852658D+01 -0.117528D+02
      2  -0.512550D+01  0.115545D+02  0.779163D+01
      3  -0.435548D+01 -0.302795D+01  0.396118D+01
      4   0.340615D+01  0.113351D+02  0.725322D+01
      5  -0.146982D+01  0.938563D+01  0.510078D+01
      6  -0.220680D+01  0.963416D+01  0.608846D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:31:20 2021, MaxMem=  5368709120 cpu:           17915.8 elap:            2245.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.44992 -10.53237 -10.46948 -10.46001 -10.45435
 Alpha  occ. eigenvalues --  -10.44756 -10.44156 -10.44123 -10.43685 -10.43487
 Alpha  occ. eigenvalues --  -10.43219  -1.16578  -1.01304  -0.93718  -0.88612
 Alpha  occ. eigenvalues --   -0.86664  -0.82509  -0.81450  -0.74871  -0.71929
 Alpha  occ. eigenvalues --   -0.65872  -0.63960  -0.61114  -0.59619  -0.59375
 Alpha  occ. eigenvalues --   -0.56501  -0.56186  -0.55702  -0.53565  -0.52282
 Alpha  occ. eigenvalues --   -0.51018  -0.50930  -0.49233  -0.48425  -0.47960
 Alpha  occ. eigenvalues --   -0.46760  -0.44303  -0.42893  -0.42263  -0.40165
 Alpha  occ. eigenvalues --   -0.36528  -0.36292
 Alpha virt. eigenvalues --    0.02151   0.04033   0.05619   0.06302   0.06413
 Alpha virt. eigenvalues --    0.08418   0.08749   0.09149   0.10778   0.11163
 Alpha virt. eigenvalues --    0.11436   0.12741   0.13487   0.13794   0.14373
 Alpha virt. eigenvalues --    0.14770   0.15634   0.16284   0.17067   0.17802
 Alpha virt. eigenvalues --    0.18211   0.19262   0.19729   0.20080   0.20844
 Alpha virt. eigenvalues --    0.21302   0.21861   0.22606   0.22757   0.24073
 Alpha virt. eigenvalues --    0.24805   0.25179   0.25898   0.26123   0.26375
 Alpha virt. eigenvalues --    0.27643   0.28315   0.29351   0.29622   0.29910
 Alpha virt. eigenvalues --    0.30415   0.31308   0.32437   0.33280   0.33654
 Alpha virt. eigenvalues --    0.34080   0.34407   0.34845   0.35025   0.35622
 Alpha virt. eigenvalues --    0.36004   0.36578   0.36756   0.37036   0.37472
 Alpha virt. eigenvalues --    0.37831   0.37974   0.38209   0.38664   0.39459
 Alpha virt. eigenvalues --    0.40122   0.40782   0.40820   0.41250   0.41859
 Alpha virt. eigenvalues --    0.42282   0.42403   0.43008   0.43398   0.43650
 Alpha virt. eigenvalues --    0.44097   0.44541   0.45092   0.45389   0.45800
 Alpha virt. eigenvalues --    0.46277   0.46751   0.46784   0.47263   0.48143
 Alpha virt. eigenvalues --    0.48380   0.48652   0.49710   0.49883   0.50620
 Alpha virt. eigenvalues --    0.51035   0.51653   0.51922   0.52177   0.52603
 Alpha virt. eigenvalues --    0.53316   0.53511   0.53830   0.54376   0.54777
 Alpha virt. eigenvalues --    0.55350   0.56175   0.56299   0.57055   0.57357
 Alpha virt. eigenvalues --    0.58134   0.58848   0.59470   0.59663   0.60069
 Alpha virt. eigenvalues --    0.60690   0.61059   0.61675   0.62017   0.62684
 Alpha virt. eigenvalues --    0.63187   0.64353   0.64524   0.64823   0.65640
 Alpha virt. eigenvalues --    0.66011   0.66220   0.67356   0.68492   0.68863
 Alpha virt. eigenvalues --    0.69172   0.70140   0.71109   0.71663   0.72129
 Alpha virt. eigenvalues --    0.73151   0.73598   0.73970   0.75505   0.76135
 Alpha virt. eigenvalues --    0.77324   0.77570   0.78754   0.79679   0.80440
 Alpha virt. eigenvalues --    0.81046   0.81253   0.82758   0.82832   0.83551
 Alpha virt. eigenvalues --    0.85132   0.86253   0.86786   0.86835   0.88799
 Alpha virt. eigenvalues --    0.93609   0.95938   0.99595   0.99860   1.01497
 Alpha virt. eigenvalues --    1.02181   1.03425   1.03902   1.04587   1.05882
 Alpha virt. eigenvalues --    1.06264   1.06745   1.07496   1.08744   1.09510
 Alpha virt. eigenvalues --    1.10049   1.10496   1.11406   1.11447   1.11929
 Alpha virt. eigenvalues --    1.12410   1.13682   1.14954   1.16657   1.17592
 Alpha virt. eigenvalues --    1.18963   1.22415   1.23176   1.24839   1.25098
 Alpha virt. eigenvalues --    1.25217   1.27053   1.28563   1.29310   1.31983
 Alpha virt. eigenvalues --    1.33091   1.34935   1.35631   1.36243   1.37972
 Alpha virt. eigenvalues --    1.38881   1.40013   1.41790   1.43084   1.44295
 Alpha virt. eigenvalues --    1.46327   1.47699   1.49624   1.49922   1.52200
 Alpha virt. eigenvalues --    1.54875   1.55690   1.58417   1.59892   1.60980
 Alpha virt. eigenvalues --    1.62996   1.66196   1.67742   1.69105   1.70034
 Alpha virt. eigenvalues --    1.72157   1.73223   1.76105   1.77323   1.77944
 Alpha virt. eigenvalues --    1.79453   1.81587   1.82304   1.82863   1.83076
 Alpha virt. eigenvalues --    1.85321   1.86669   1.87477   1.90541   1.92555
 Alpha virt. eigenvalues --    1.93823   1.95105   1.95367   1.96711   1.97466
 Alpha virt. eigenvalues --    1.98578   1.99519   2.01257   2.02415   2.03739
 Alpha virt. eigenvalues --    2.06007   2.07343   2.07497   2.09121   2.10607
 Alpha virt. eigenvalues --    2.11798   2.12200   2.12836   2.15331   2.15972
 Alpha virt. eigenvalues --    2.17423   2.18326   2.19206   2.20698   2.21380
 Alpha virt. eigenvalues --    2.24368   2.24630   2.25751   2.27944   2.29174
 Alpha virt. eigenvalues --    2.31160   2.31550   2.33504   2.34393   2.35003
 Alpha virt. eigenvalues --    2.36698   2.37440   2.38237   2.41404   2.42253
 Alpha virt. eigenvalues --    2.44351   2.45630   2.49112   2.49463   2.51472
 Alpha virt. eigenvalues --    2.54177   2.55183   2.56460   2.59440   2.61052
 Alpha virt. eigenvalues --    2.62625   2.63403   2.64062   2.64194   2.67470
 Alpha virt. eigenvalues --    2.69430   2.72245   2.74045   2.75080   2.77632
 Alpha virt. eigenvalues --    2.79624   2.81331   2.84015   2.84350   2.91966
 Alpha virt. eigenvalues --    2.94497   2.94836   3.00520   3.02259   3.04221
 Alpha virt. eigenvalues --    3.07023   3.08493   3.11831   3.13149   3.14749
 Alpha virt. eigenvalues --    3.15690   3.18369   3.20948   3.22439   3.22957
 Alpha virt. eigenvalues --    3.24728   3.25706   3.29375   3.29842   3.31403
 Alpha virt. eigenvalues --    3.40398   3.48200   3.55677   3.90464
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.725898  -1.005308  -0.125563  -0.022733  -0.000771  -0.001178
     2  C   -1.005308  10.998849  -0.532768   0.103350  -0.026773   0.025338
     3  C   -0.125563  -0.532768   7.096400  -0.533641  -0.052576   0.062729
     4  C   -0.022733   0.103350  -0.533641   8.600958  -0.585954   0.075141
     5  C   -0.000771  -0.026773  -0.052576  -0.585954   9.064754  -1.254391
     6  C   -0.001178   0.025338   0.062729   0.075141  -1.254391   6.804339
     7  O   -0.000098   0.001019  -0.007638   0.096888  -0.181621   0.661778
     8  C   -0.217181  -0.188160   0.060508  -0.023466   0.000640  -0.000339
     9  C   -0.066017  -0.108778   0.095861  -0.072527   0.020311  -0.002448
    10  C    0.061294   0.173921  -0.220196   0.024937  -0.196615   0.010395
    11  C   -0.001355   0.000626   0.012779  -0.069152  -0.019705   0.490352
    12  H    0.160162  -0.308404   0.016794  -0.014275   0.002986  -0.000094
    13  H   -0.157331   0.116156   0.088365   0.057163  -0.026916   0.000443
    14  H    0.115096  -0.116964  -0.086226  -0.170320   0.046713  -0.001711
    15  H    0.001706  -0.110582   0.090625  -0.218145   0.076244  -0.004753
    16  H   -0.015162   0.160031   0.018254   0.074107   0.009072   0.000085
    17  H   -0.005621   0.206741   0.023817  -0.010180   0.001019  -0.001638
    18  H    0.480201  -0.133034  -0.124025   0.003167  -0.013568   0.001548
    19  H   -0.076629   0.249805   0.017339  -0.005218   0.001256   0.000522
    20  H    0.031856   0.170793   0.016985   0.008467   0.000260  -0.000024
    21  H   -0.018426   0.294040  -0.022210  -0.005069   0.001042  -0.000051
    22  H    0.032873   0.060704  -0.007272  -0.007483   0.000917  -0.000076
    23  H   -0.006386  -0.039072  -0.358941  -0.628280  -0.560593  -0.128873
    24  H   -0.002398  -0.051975   0.010492  -0.653170   0.277427  -0.453787
    25  H   -0.000769   0.000923   0.002605  -0.002821  -0.085215   0.106695
    26  H   -0.000015  -0.000253   0.000312   0.022129   0.054584   0.107432
    27  H    0.000176  -0.000304  -0.001972   0.010556  -0.061842   0.071676
               7          8          9         10         11         12
     1  C   -0.000098  -0.217181  -0.066017   0.061294  -0.001355   0.160162
     2  C    0.001019  -0.188160  -0.108778   0.173921   0.000626  -0.308404
     3  C   -0.007638   0.060508   0.095861  -0.220196   0.012779   0.016794
     4  C    0.096888  -0.023466  -0.072527   0.024937  -0.069152  -0.014275
     5  C   -0.181621   0.000640   0.020311  -0.196615  -0.019705   0.002986
     6  C    0.661778  -0.000339  -0.002448   0.010395   0.490352  -0.000094
     7  O    7.679719  -0.000046   0.000097   0.004467  -0.033127  -0.000023
     8  C   -0.000046   5.008108  -0.052746  -0.011983   0.000146  -0.115323
     9  C    0.000097  -0.052746   4.924925   0.082048  -0.000542   0.171339
    10  C    0.004467  -0.011983   0.082048   4.982265   0.001349   0.024261
    11  C   -0.033127   0.000146  -0.000542   0.001349   4.483710   0.000013
    12  H   -0.000023  -0.115323   0.171339   0.024261   0.000013   1.966299
    13  H   -0.000146   0.059917   0.082702  -0.043711   0.000127  -0.584189
    14  H   -0.000845  -0.196761  -0.000339   0.030184  -0.002655   0.018213
    15  H    0.001363  -0.014445   0.086148   0.102363   0.000779   0.128545
    16  H   -0.000040   0.017855  -0.086879   0.162989  -0.000057  -0.221225
    17  H   -0.000054  -0.006496  -0.000139  -0.007420  -0.000141  -0.003079
    18  H    0.000449  -0.005888  -0.048812   0.033758  -0.002970   0.013590
    19  H   -0.000110   0.046411   0.035997  -0.011427   0.000273   0.010822
    20  H    0.000003  -0.087652   0.010953   0.004129  -0.000004   0.036565
    21  H   -0.000001   0.325087  -0.045934  -0.019603   0.000011  -0.032839
    22  H    0.000001   0.031563   0.012493   0.000083   0.000046   0.011217
    23  H    0.023393  -0.002759   0.028092   0.004835  -0.096539  -0.000387
    24  H   -0.086931   0.001264   0.036690  -0.052834   0.002507  -0.000785
    25  H    0.005122   0.000043  -0.000085   0.000178   0.243946   0.000001
    26  H   -0.038533   0.000004   0.000033  -0.000090   0.323223   0.000000
    27  H    0.007827   0.000076  -0.000229   0.000293   0.237327   0.000003
              13         14         15         16         17         18
     1  C   -0.157331   0.115096   0.001706  -0.015162  -0.005621   0.480201
     2  C    0.116156  -0.116964  -0.110582   0.160031   0.206741  -0.133034
     3  C    0.088365  -0.086226   0.090625   0.018254   0.023817  -0.124025
     4  C    0.057163  -0.170320  -0.218145   0.074107  -0.010180   0.003167
     5  C   -0.026916   0.046713   0.076244   0.009072   0.001019  -0.013568
     6  C    0.000443  -0.001711  -0.004753   0.000085  -0.001638   0.001548
     7  O   -0.000146  -0.000845   0.001363  -0.000040  -0.000054   0.000449
     8  C    0.059917  -0.196761  -0.014445   0.017855  -0.006496  -0.005888
     9  C    0.082702  -0.000339   0.086148  -0.086879  -0.000139  -0.048812
    10  C   -0.043711   0.030184   0.102363   0.162989  -0.007420   0.033758
    11  C    0.000127  -0.002655   0.000779  -0.000057  -0.000141  -0.002970
    12  H   -0.584189   0.018213   0.128545  -0.221225  -0.003079   0.013590
    13  H    1.457911  -0.027571  -0.183932   0.117864   0.003206  -0.012400
    14  H   -0.027571   1.834630   0.107247  -0.179041   0.000713   0.011756
    15  H   -0.183932   0.107247   1.962325  -0.630358   0.000490   0.003411
    16  H    0.117864  -0.179041  -0.630358   1.577769  -0.000183  -0.002026
    17  H    0.003206   0.000713   0.000490  -0.000183   0.817697  -0.071622
    18  H   -0.012400   0.011756   0.003411  -0.002026  -0.071622   1.102952
    19  H   -0.025476  -0.007582  -0.000246  -0.000138  -0.072182  -0.232870
    20  H   -0.004323   0.012545   0.002579  -0.003860  -0.009862   0.012264
    21  H    0.000280  -0.065198   0.000249  -0.004186  -0.003714  -0.002827
    22  H   -0.003259   0.017473   0.001838   0.000821   0.005199   0.002843
    23  H   -0.002949  -0.040250  -0.003359   0.000852   0.007198  -0.017313
    24  H   -0.010079  -0.002627   0.042443  -0.000953   0.001945  -0.008629
    25  H    0.000016  -0.000697   0.000063  -0.000019   0.000047  -0.000465
    26  H   -0.000007   0.000095  -0.000007  -0.000001   0.000031  -0.000089
    27  H   -0.000005  -0.000368   0.000058  -0.000002  -0.000325  -0.000278
              19         20         21         22         23         24
     1  C   -0.076629   0.031856  -0.018426   0.032873  -0.006386  -0.002398
     2  C    0.249805   0.170793   0.294040   0.060704  -0.039072  -0.051975
     3  C    0.017339   0.016985  -0.022210  -0.007272  -0.358941   0.010492
     4  C   -0.005218   0.008467  -0.005069  -0.007483  -0.628280  -0.653170
     5  C    0.001256   0.000260   0.001042   0.000917  -0.560593   0.277427
     6  C    0.000522  -0.000024  -0.000051  -0.000076  -0.128873  -0.453787
     7  O   -0.000110   0.000003  -0.000001   0.000001   0.023393  -0.086931
     8  C    0.046411  -0.087652   0.325087   0.031563  -0.002759   0.001264
     9  C    0.035997   0.010953  -0.045934   0.012493   0.028092   0.036690
    10  C   -0.011427   0.004129  -0.019603   0.000083   0.004835  -0.052834
    11  C    0.000273  -0.000004   0.000011   0.000046  -0.096539   0.002507
    12  H    0.010822   0.036565  -0.032839   0.011217  -0.000387  -0.000785
    13  H   -0.025476  -0.004323   0.000280  -0.003259  -0.002949  -0.010079
    14  H   -0.007582   0.012545  -0.065198   0.017473  -0.040250  -0.002627
    15  H   -0.000246   0.002579   0.000249   0.001838  -0.003359   0.042443
    16  H   -0.000138  -0.003860  -0.004186   0.000821   0.000852  -0.000953
    17  H   -0.072182  -0.009862  -0.003714   0.005199   0.007198   0.001945
    18  H   -0.232870   0.012264  -0.002827   0.002843  -0.017313  -0.008629
    19  H    1.008504  -0.019919   0.002670  -0.009422   0.000045   0.000880
    20  H   -0.019919   0.902699  -0.089827  -0.070886   0.001371   0.000005
    21  H    0.002670  -0.089827   0.782761  -0.073283   0.000832   0.000259
    22  H   -0.009422  -0.070886  -0.073283   0.777608  -0.001990  -0.000014
    23  H    0.000045   0.001371   0.000832  -0.001990   2.540146   0.171191
    24  H    0.000880   0.000005   0.000259  -0.000014   0.171191   1.728897
    25  H    0.000053  -0.000000   0.000002   0.000003  -0.042167  -0.008585
    26  H   -0.000001  -0.000000   0.000000  -0.000000   0.016925   0.009170
    27  H    0.000148  -0.000000   0.000002   0.000016  -0.038689  -0.006875
              25         26         27
     1  C   -0.000769  -0.000015   0.000176
     2  C    0.000923  -0.000253  -0.000304
     3  C    0.002605   0.000312  -0.001972
     4  C   -0.002821   0.022129   0.010556
     5  C   -0.085215   0.054584  -0.061842
     6  C    0.106695   0.107432   0.071676
     7  O    0.005122  -0.038533   0.007827
     8  C    0.000043   0.000004   0.000076
     9  C   -0.000085   0.000033  -0.000229
    10  C    0.000178  -0.000090   0.000293
    11  C    0.243946   0.323223   0.237327
    12  H    0.000001   0.000000   0.000003
    13  H    0.000016  -0.000007  -0.000005
    14  H   -0.000697   0.000095  -0.000368
    15  H    0.000063  -0.000007   0.000058
    16  H   -0.000019  -0.000001  -0.000002
    17  H    0.000047   0.000031  -0.000325
    18  H   -0.000465  -0.000089  -0.000278
    19  H    0.000053  -0.000001   0.000148
    20  H   -0.000000  -0.000000  -0.000000
    21  H    0.000002   0.000000   0.000002
    22  H    0.000003  -0.000000   0.000016
    23  H   -0.042167   0.016925  -0.038689
    24  H   -0.008585   0.009170  -0.006875
    25  H    0.579648  -0.087026   0.079175
    26  H   -0.087026   0.864261  -0.080581
    27  H    0.079175  -0.080581   0.551337
 Mulliken charges:
               1
     1  C    1.113680
     2  C   -3.939922
     3  C    0.459161
     4  C   -0.054428
     5  C   -0.490685
     6  C   -0.569107
     7  O   -0.132912
     8  C    1.371625
     9  C    0.897787
    10  C    0.860129
    11  C    0.429035
    12  H   -0.280183
    13  H    0.098145
    14  H   -0.295508
    15  H   -0.442651
    16  H    0.004431
    17  H    0.124552
    18  H    0.010875
    19  H    0.086494
    20  H    0.074884
    21  H   -0.024065
    22  H    0.217988
    23  H    0.173669
    24  H    0.056472
    25  H    0.209329
    26  H   -0.191596
    27  H    0.232801
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.335602
     2  C   -3.939922
     3  C    0.163653
     4  C    0.119241
     5  C   -0.434212
     6  C   -0.569107
     7  O   -0.132912
     8  C    1.640431
     9  C    0.715749
    10  C    0.421909
    11  C    0.679569
 Electronic spatial extent (au):  <R**2>=           2374.2752
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5086    Y=              2.0908    Z=             -1.4198  Tot=              4.3240
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.9587   YY=            -68.4642   ZZ=            -69.2772
   XY=              8.2403   XZ=             -4.4380   YZ=              0.3144
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.0587   YY=              4.4359   ZZ=              3.6228
   XY=              8.2403   XZ=             -4.4380   YZ=              0.3144
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -53.4192  YYY=             -0.7445  ZZZ=              0.3057  XYY=              0.5244
  XXY=             29.3493  XXZ=            -17.2091  XZZ=             -0.3148  YZZ=              1.8204
  YYZ=             -1.4987  XYZ=              1.9613
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2598.8997 YYYY=           -558.4867 ZZZZ=           -286.6293 XXXY=            119.7355
 XXXZ=            -73.9435 YYYX=              0.5172 YYYZ=             -3.3289 ZZZX=              4.0755
 ZZZY=             -3.7090 XXYY=           -499.2556 XXZZ=           -447.7528 YYZZ=           -141.6893
 XXYZ=             19.9407 YYXZ=              1.0553 ZZXY=              2.6929
 N-N= 6.147756254778D+02 E-N=-2.306739164385D+03  KE= 4.595473506519D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:31:20 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.35546403D+00 7.54876856D-01-5.22841286D-01
 Polarizability= 1.56096594D+02-4.54232330D+00 1.13939386D+02
                 6.47779059D+00-3.98160192D+00 9.80024603D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.6438   -3.6343       -3.1454   -3.1536
 2      3.6438    3.6343        2.0401    2.0382      -22.5233  -22.5194
 3      3.1454    3.1536       30.1664   30.1684       -2.0389   -2.0382
 4     -2.0401   -2.0382        0.0000    0.0000        3.1469    3.1536
 5     -7.6431   -7.6491       -3.1469   -3.1536       -3.6353   -3.6343
 6      2.0389    2.0382        3.6353    3.6343       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       10.9028   10.9028       -9.4609   -9.4609
 2     -6.1147   -6.1147       -0.0000    0.0000       -9.4609   -9.4609
 3     -6.1147   -6.1147       10.9028   10.9028        0.0000    0.0000
 4     10.9028   10.9028        6.1147    6.1147      -67.5581  -67.5581
 5      9.4609    9.4609       90.5053   90.5053       -6.1147   -6.1147
 6    -22.9473  -22.9473       -9.4609   -9.4609      -10.9028  -10.9028
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0375    0.0000       14.5759   14.5370       12.7995   12.6145
 2    -14.8725  -14.5370       -8.2491   -8.1530       90.0626   90.0774
 3    -12.6591  -12.6145     -120.9499 -120.6738        7.9884    8.1530
 4      7.9877    8.1530       -0.2137    0.0000      -12.9565  -12.6145
 5     30.7925   30.5964       12.3501   12.6145       15.0718   14.5370
 6     -8.1171   -8.1530      -14.8199  -14.5370       -0.0501    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5414    0.0000       -7.5948   -8.1415      -39.4679  -39.4868
 2      7.9032    8.1415       -8.5250   -7.8044       41.4133   40.8543
 3     39.7672   39.4868       17.6409   17.4387        8.7349    7.8044
 4      7.8941    7.8044       -0.3301    0.0000       39.5279   39.4868
 5    -57.7367  -58.2930      -40.5794  -39.4868       -7.8500   -8.1415
 6     -7.9094   -7.8044        8.2978    8.1415        0.3059    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     23.8939   24.1869       18.3527   18.8018       31.9838   31.7391
 2     37.9354   38.1514       17.1079   17.3291       31.8302   31.7391
 3     37.9755   38.1514       18.3947   18.8018       55.1271   54.9189
 4      1.3121    1.4727      -15.1266  -13.9644       45.1778   44.5159
 5     23.5183   23.1798       41.7606   41.5649       13.6727   13.9644
 6    -85.1741  -86.0808      -24.0713  -23.1798       -1.0171   -1.4727
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0007    0.0002    0.0004    1.3636    4.2058    7.7124
 Low frequencies ---   34.4183   64.1305   77.5392
 Diagonal vibrational polarizability:
       20.7848993      12.8922940      65.1871880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.4020                64.1213                77.5359
 Red. masses --      4.0133                 2.8285                 3.4063
 Frc consts  --      0.0028                 0.0069                 0.0121
 IR Inten    --      3.3014                 0.3621                 0.7785
 RamAct Fr= 1--      1.6617                 0.3399                 0.6000
  Dep-P Fr= 1--      0.7362                 0.5396                 0.6554
  Dep-U Fr= 1--      0.8481                 0.7010                 0.7918
 Alpha2 Fr= 1--      0.0004                 0.0014                 0.0010
 Beta2  Fr= 1--      0.2349                 0.0397                 0.0792
 AlphaG Fr= 1--     -0.0020                -0.0032                -0.0068
 Gamma2 Fr= 1--      0.8677                -0.0907                 0.1798
 Delta2 Fr= 1--      0.4515                -0.0176                 0.1630
 Raman1 Fr= 1--       6.647                  1.360                  2.400
 ROA1   Fr= 1--      97.743                 -9.267                 22.472
 CID1   Fr= 1--      14.705                 -6.816                  9.363
 Raman2 Fr= 1--       2.818                  0.477                  0.950
 ROA2   Fr= 1--      17.212                 -2.036                  3.010
 CID2   Fr= 1--       6.107                 -4.272                  3.168
 Raman3 Fr= 1--       5.637                  0.953                  1.901
 ROA3   Fr= 1--      97.743                 -9.267                 22.472
 CID3   Fr= 1--      17.340                 -9.724                 11.824
 RC180  Fr= 1--       0.696                  0.402                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.07     0.03   0.10  -0.12     0.22  -0.05  -0.03
     2   6     0.04  -0.02   0.03     0.04   0.01  -0.00     0.07  -0.00  -0.01
     3   6    -0.02   0.03  -0.07    -0.02   0.03  -0.08    -0.02  -0.11  -0.04
     4   6    -0.01   0.00  -0.10    -0.01   0.01  -0.08    -0.02  -0.12  -0.10
     5   6    -0.05   0.04   0.02    -0.04  -0.01  -0.05    -0.01  -0.07  -0.06
     6   6    -0.05   0.03   0.04    -0.04  -0.03   0.03    -0.05   0.03   0.01
     7   8    -0.12   0.10   0.26    -0.07  -0.06   0.02    -0.00   0.09   0.01
     8   6     0.01   0.03   0.12    -0.06  -0.13   0.11     0.08   0.14   0.03
     9   6     0.07  -0.06  -0.05     0.21   0.04   0.05    -0.04   0.01   0.01
    10   6    -0.01   0.01  -0.13     0.01   0.03  -0.05    -0.06  -0.07   0.03
    11   6     0.04  -0.08  -0.22    -0.02   0.00   0.14    -0.18   0.10   0.12
    12   1     0.08  -0.07  -0.01     0.27   0.02   0.26    -0.07   0.09  -0.02
    13   1     0.12  -0.12  -0.09     0.38   0.09  -0.08    -0.06  -0.02   0.03
    14   1    -0.07   0.10  -0.04    -0.05   0.05  -0.06    -0.07  -0.14  -0.04
    15   1    -0.01  -0.02  -0.22     0.00  -0.02  -0.20    -0.07  -0.07   0.07
    16   1    -0.06   0.06  -0.12    -0.12   0.09   0.04    -0.07  -0.09   0.06
    17   1     0.07  -0.04   0.12    -0.09   0.07  -0.19     0.30  -0.07  -0.03
    18   1     0.12  -0.11   0.01     0.08   0.20  -0.19     0.21  -0.16  -0.06
    19   1     0.13  -0.11   0.13     0.08   0.10  -0.08     0.27   0.03  -0.01
    20   1     0.05  -0.00   0.17    -0.00  -0.16   0.18     0.14   0.23   0.05
    21   1    -0.03   0.07   0.08    -0.06  -0.18   0.19    -0.03   0.17   0.05
    22   1    -0.02   0.07   0.16    -0.20  -0.15   0.06     0.16   0.12   0.02
    23   1     0.03  -0.04  -0.21     0.00   0.01  -0.07    -0.03  -0.13  -0.14
    24   1    -0.09   0.09   0.15    -0.06  -0.01  -0.07     0.03  -0.07  -0.03
    25   1     0.11  -0.29  -0.26    -0.00   0.09   0.15    -0.19   0.19   0.13
    26   1     0.04  -0.08  -0.19    -0.03  -0.02   0.18    -0.19   0.18   0.13
    27   1     0.05   0.05  -0.40    -0.03  -0.04   0.19    -0.24  -0.00   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    128.2250               147.9504               169.2586
 Red. masses --      1.0267                 3.5228                 3.0842
 Frc consts  --      0.0099                 0.0454                 0.0521
 IR Inten    --      0.0183                 1.4253                 2.5397
 RamAct Fr= 1--      0.0682                 0.4105                 0.4698
  Dep-P Fr= 1--      0.6754                 0.7385                 0.7345
  Dep-U Fr= 1--      0.8062                 0.8496                 0.8469
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0092                 0.0581                 0.0663
 AlphaG Fr= 1--     -0.0005                 0.0032                -0.0011
 Gamma2 Fr= 1--     -0.0228                -0.4443                 0.8268
 Delta2 Fr= 1--      0.0176                -0.0557                 0.0558
 Raman1 Fr= 1--       0.273                  1.642                  1.879
 ROA1   Fr= 1--      -1.628                -44.439                 81.161
 CID1   Fr= 1--      -5.971                -27.062                 43.187
 Raman2 Fr= 1--       0.110                  0.698                  0.796
 ROA2   Fr= 1--      -0.688                -10.218                 19.397
 CID2   Fr= 1--      -6.263                -14.648                 24.374
 Raman3 Fr= 1--       0.220                  1.395                  1.592
 ROA3   Fr= 1--      -1.628                -44.439                 81.161
 CID3   Fr= 1--      -7.406                -31.854                 50.993
 RC180  Fr= 1--       0.612                  0.699                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.05  -0.01  -0.03     0.05  -0.07  -0.00
     2   6     0.00   0.00   0.00     0.02  -0.01  -0.02    -0.02  -0.03  -0.01
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.04    -0.03  -0.05  -0.02
     4   6    -0.00   0.00   0.01     0.00  -0.03  -0.00    -0.04   0.09  -0.16
     5   6     0.00  -0.00   0.00    -0.10   0.10   0.37    -0.06   0.17  -0.02
     6   6    -0.00   0.00   0.01    -0.03   0.02   0.08    -0.02   0.05  -0.01
     7   8     0.01  -0.01  -0.03     0.06  -0.04  -0.17    -0.13  -0.09  -0.03
     8   6    -0.00   0.00   0.00     0.01   0.00   0.01    -0.01   0.02   0.01
     9   6     0.00   0.00   0.00     0.04  -0.02  -0.03    -0.05  -0.02   0.02
    10   6    -0.00   0.00   0.00    -0.02  -0.00  -0.07     0.12  -0.04   0.13
    11   6    -0.01   0.00   0.01    -0.06   0.00  -0.01     0.17   0.02   0.08
    12   1     0.00   0.00   0.01     0.05  -0.01   0.01    -0.08  -0.05  -0.12
    13   1     0.00   0.00   0.00     0.08  -0.04  -0.06    -0.19   0.03   0.12
    14   1     0.00   0.00   0.00     0.02   0.03  -0.04    -0.14  -0.18  -0.01
    15   1    -0.00  -0.00  -0.00    -0.04  -0.04  -0.14     0.21   0.10   0.27
    16   1    -0.01   0.00   0.00    -0.07   0.05  -0.07     0.24  -0.24   0.13
    17   1     0.00   0.00  -0.00     0.05  -0.02  -0.04     0.07  -0.06   0.01
    18   1     0.00   0.00   0.00     0.05  -0.02  -0.04     0.05  -0.12  -0.03
    19   1     0.00   0.00   0.00     0.06   0.01  -0.02     0.08  -0.06   0.02
    20   1     0.00   0.00   0.00     0.03  -0.00   0.02     0.01   0.07   0.01
    21   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.06   0.03   0.02
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.01  -0.01
    23   1    -0.00   0.01   0.02     0.11  -0.16  -0.33    -0.07   0.04  -0.34
    24   1     0.01  -0.01  -0.02    -0.18   0.22   0.68    -0.11   0.23   0.11
    25   1     0.52  -0.23  -0.11    -0.12  -0.06  -0.01     0.26   0.08   0.07
    26   1    -0.14   0.19   0.50    -0.04   0.00  -0.11     0.17  -0.10   0.16
    27   1    -0.39   0.01  -0.45    -0.02   0.04  -0.02     0.20   0.06   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    237.0555               254.0247               269.2980
 Red. masses --      1.4304                 1.9393                 1.2521
 Frc consts  --      0.0474                 0.0737                 0.0535
 IR Inten    --      0.0380                 0.2095                 0.0712
 RamAct Fr= 1--      0.5331                 2.3913                 0.9509
  Dep-P Fr= 1--      0.7339                 0.1456                 0.1997
  Dep-U Fr= 1--      0.8465                 0.2541                 0.3329
 Alpha2 Fr= 1--      0.0001                 0.0374                 0.0129
 Beta2  Fr= 1--      0.0752                 0.1013                 0.0528
 AlphaG Fr= 1--     -0.0018                 0.0245                 0.0361
 Gamma2 Fr= 1--     -0.1380                -0.0563                 0.3503
 Delta2 Fr= 1--      0.0624                 0.1562                -0.0162
 Raman1 Fr= 1--       2.132                  9.565                  3.804
 ROA1   Fr= 1--     -11.252                 -0.410                 33.112
 CID1   Fr= 1--      -5.276                 -0.043                  8.705
 Raman2 Fr= 1--       0.903                  1.215                  0.633
 ROA2   Fr= 1--      -3.812                 -2.602                  8.537
 CID2   Fr= 1--      -4.223                 -2.141                 13.486
 Raman3 Fr= 1--       1.805                  2.431                  1.266
 ROA3   Fr= 1--     -11.252                 -0.410                 33.112
 CID3   Fr= 1--      -6.233                 -0.169                 26.153
 RC180  Fr= 1--       0.693                 -0.492                 -0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.09     0.01  -0.01  -0.06     0.04  -0.01  -0.02
     2   6    -0.02  -0.02  -0.00    -0.04  -0.01  -0.02     0.00  -0.02   0.02
     3   6    -0.01  -0.00   0.01    -0.03  -0.04  -0.01    -0.00   0.01   0.02
     4   6    -0.01   0.01   0.05     0.00  -0.05   0.01    -0.03   0.06   0.08
     5   6     0.02   0.01   0.00     0.05   0.01   0.01    -0.02   0.02   0.00
     6   6     0.02   0.02   0.01     0.08   0.03   0.01    -0.03   0.01   0.01
     7   8     0.02   0.01   0.00     0.08   0.03   0.01    -0.04  -0.01  -0.01
     8   6    -0.07  -0.01   0.08    -0.09   0.01   0.07     0.03  -0.01  -0.02
     9   6    -0.05  -0.03  -0.02    -0.08  -0.00  -0.02     0.02  -0.04   0.00
    10   6    -0.02  -0.01  -0.02    -0.12  -0.02  -0.03     0.01  -0.01  -0.02
    11   6     0.05   0.01   0.00     0.13   0.03   0.03    -0.01  -0.00  -0.02
    12   1    -0.07  -0.03  -0.08    -0.10   0.04  -0.02     0.03  -0.06   0.01
    13   1    -0.09  -0.07   0.00    -0.07  -0.04  -0.03     0.04  -0.05  -0.01
    14   1     0.02   0.01   0.00     0.01  -0.02  -0.02     0.02   0.04   0.02
    15   1    -0.02  -0.01  -0.02    -0.16  -0.08  -0.05     0.01  -0.02  -0.05
    16   1    -0.01  -0.00  -0.05    -0.15   0.05  -0.05     0.01   0.02  -0.04
    17   1     0.48  -0.17  -0.26    -0.33   0.07  -0.02     0.22  -0.08  -0.08
    18   1    -0.13  -0.15   0.20     0.20   0.11  -0.36    -0.03  -0.08   0.09
    19   1    -0.07   0.40  -0.35     0.20  -0.21   0.19    -0.01   0.15  -0.12
    20   1    -0.07  -0.23   0.16     0.06   0.26   0.14     0.14   0.50  -0.09
    21   1    -0.00   0.07  -0.07    -0.29  -0.07   0.31    -0.21  -0.17   0.36
    22   1    -0.19   0.14   0.24    -0.10  -0.14  -0.12     0.20  -0.33  -0.40
    23   1    -0.03   0.03   0.11    -0.02  -0.04  -0.01    -0.06   0.10   0.18
    24   1     0.04  -0.01  -0.04     0.09   0.01   0.03    -0.01  -0.01  -0.10
    25   1     0.06   0.01   0.00     0.16   0.05   0.03    -0.02  -0.02  -0.02
    26   1     0.06  -0.02   0.00     0.14  -0.03   0.05    -0.00  -0.02  -0.03
    27   1     0.07   0.03  -0.00     0.16   0.05   0.03     0.01   0.02  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    277.1663               307.8571               346.9303
 Red. masses --      1.9857                 1.8985                 2.2429
 Frc consts  --      0.0899                 0.1060                 0.1591
 IR Inten    --      0.1475                 0.3473                 0.0451
 RamAct Fr= 1--      1.4385                 0.9170                 0.8792
  Dep-P Fr= 1--      0.3053                 0.4116                 0.3761
  Dep-U Fr= 1--      0.4678                 0.5832                 0.5466
 Alpha2 Fr= 1--      0.0145                 0.0065                 0.0071
 Beta2  Fr= 1--      0.1121                 0.0891                 0.0801
 AlphaG Fr= 1--     -0.0034                 0.0297                -0.0353
 Gamma2 Fr= 1--      1.1786                -0.5794                -0.0996
 Delta2 Fr= 1--      0.1093                 0.0604                -0.0441
 Raman1 Fr= 1--       5.754                  3.668                  3.517
 ROA1   Fr= 1--     116.642                -53.694                -10.973
 CID1   Fr= 1--      20.271                -14.639                 -3.120
 Raman2 Fr= 1--       1.346                  1.070                  0.961
 ROA2   Fr= 1--      27.411                -14.390                 -2.038
 CID2   Fr= 1--      20.368                -13.454                 -2.120
 Raman3 Fr= 1--       2.692                  2.139                  1.922
 ROA3   Fr= 1--     116.642                -53.694                -10.973
 CID3   Fr= 1--      43.336                -25.101                 -5.708
 RC180  Fr= 1--      -0.064                  0.166                  0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.08     0.09  -0.04  -0.04    -0.14  -0.02  -0.03
     2   6    -0.01   0.00  -0.05     0.01  -0.03  -0.01    -0.04  -0.04  -0.06
     3   6     0.03   0.03  -0.01    -0.02  -0.04   0.02    -0.01  -0.08  -0.04
     4   6     0.00   0.06   0.10    -0.08   0.05   0.14    -0.03  -0.03   0.03
     5   6    -0.02  -0.03   0.02    -0.03   0.05   0.01     0.00  -0.01   0.01
     6   6    -0.03  -0.03   0.02    -0.04   0.05   0.01     0.01   0.01   0.02
     7   8    -0.00  -0.02   0.00    -0.06  -0.01  -0.03     0.02   0.01  -0.01
     8   6    -0.07   0.04   0.07     0.06   0.00  -0.08    -0.03   0.21   0.03
     9   6    -0.02  -0.01  -0.06     0.04  -0.01   0.04     0.13  -0.02   0.01
    10   6     0.16   0.01   0.02    -0.07  -0.04  -0.00     0.05  -0.07   0.01
    11   6    -0.10  -0.04  -0.03     0.06   0.02  -0.02     0.03  -0.00   0.00
    12   1    -0.06  -0.06  -0.23     0.08   0.01   0.17     0.22  -0.11   0.22
    13   1    -0.17   0.01   0.04     0.15   0.03  -0.04     0.28   0.15  -0.09
    14   1     0.09  -0.02  -0.03     0.04  -0.03   0.01     0.03  -0.13  -0.06
    15   1     0.25   0.14   0.14    -0.13  -0.13  -0.08     0.07  -0.07  -0.03
    16   1     0.29  -0.15  -0.00    -0.17   0.06   0.02    -0.01  -0.08   0.08
    17   1    -0.23   0.06  -0.06    -0.12   0.01  -0.02    -0.10  -0.02  -0.02
    18   1     0.22   0.08  -0.36     0.22   0.00  -0.27    -0.21   0.03   0.12
    19   1     0.24  -0.15   0.14     0.25  -0.15   0.14    -0.27  -0.04  -0.15
    20   1     0.01  -0.01   0.17    -0.08  -0.24  -0.14     0.08   0.31   0.12
    21   1    -0.13   0.06   0.06     0.23   0.11  -0.34    -0.27   0.37  -0.05
    22   1    -0.16   0.08   0.11     0.09   0.17   0.14     0.11   0.27   0.14
    23   1     0.01   0.10   0.24    -0.18   0.14   0.32    -0.06  -0.00   0.09
    24   1    -0.01  -0.06  -0.10     0.04  -0.02  -0.17     0.05  -0.03  -0.04
    25   1    -0.16  -0.09  -0.03     0.06  -0.00  -0.02     0.02  -0.01  -0.00
    26   1    -0.10   0.03  -0.09     0.07  -0.06  -0.03     0.03  -0.03  -0.01
    27   1    -0.12  -0.04  -0.04     0.12   0.09  -0.04     0.05   0.02  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    373.1294               442.9297               469.9913
 Red. masses --      2.2187                 2.4928                 2.8109
 Frc consts  --      0.1820                 0.2881                 0.3658
 IR Inten    --      0.0703                 0.2444                 1.8502
 RamAct Fr= 1--      0.5517                 2.2156                 0.1678
  Dep-P Fr= 1--      0.6256                 0.4070                 0.6222
  Dep-U Fr= 1--      0.7697                 0.5786                 0.7671
 Alpha2 Fr= 1--      0.0013                 0.0160                 0.0004
 Beta2  Fr= 1--      0.0708                 0.2136                 0.0215
 AlphaG Fr= 1--      0.0023                 0.0391                -0.0075
 Gamma2 Fr= 1--     -0.1356                -0.2675                 0.2834
 Delta2 Fr= 1--     -0.1536                -0.2596                -0.0283
 Raman1 Fr= 1--       2.207                  8.862                  0.671
 ROA1   Fr= 1--     -17.931                -33.985                 26.304
 CID1   Fr= 1--      -8.125                 -3.835                 39.189
 Raman2 Fr= 1--       0.849                  2.564                  0.257
 ROA2   Fr= 1--      -2.025                 -4.343                  7.028
 CID2   Fr= 1--      -2.384                 -1.694                 27.299
 Raman3 Fr= 1--       1.699                  5.127                  0.515
 ROA3   Fr= 1--     -17.931                -33.985                 26.304
 CID3   Fr= 1--     -10.556                 -6.628                 51.087
 RC180  Fr= 1--       0.539                  0.157                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.15  -0.08    -0.04   0.06   0.06    -0.03  -0.03  -0.02
     2   6     0.05  -0.05   0.12     0.16   0.05  -0.08     0.05  -0.03  -0.04
     3   6     0.00  -0.00   0.06     0.06  -0.10  -0.07     0.07  -0.06   0.00
     4   6     0.00  -0.01  -0.03    -0.02  -0.05   0.06     0.04   0.16  -0.05
     5   6    -0.00   0.01  -0.01    -0.01  -0.02   0.03     0.06   0.18  -0.05
     6   6    -0.01   0.01  -0.02    -0.08   0.07   0.03     0.11  -0.02   0.06
     7   8    -0.04  -0.01  -0.00    -0.09  -0.01  -0.05     0.04  -0.13   0.05
     8   6     0.13   0.04   0.05     0.08  -0.05   0.09     0.03  -0.00   0.04
     9   6    -0.05  -0.15  -0.00    -0.03   0.09  -0.08    -0.04   0.02   0.01
    10   6     0.01  -0.04  -0.05    -0.02  -0.05  -0.01    -0.10  -0.05   0.02
    11   6    -0.00   0.01   0.00     0.04   0.04  -0.02    -0.12  -0.01  -0.03
    12   1    -0.11  -0.12  -0.16    -0.13   0.27  -0.21    -0.06   0.11   0.04
    13   1    -0.14  -0.32   0.07    -0.15  -0.03   0.00    -0.02   0.00  -0.00
    14   1    -0.07   0.08   0.10     0.10  -0.12  -0.09     0.06  -0.14  -0.01
    15   1     0.02  -0.03  -0.06    -0.04  -0.04   0.13    -0.26  -0.24  -0.00
    16   1     0.05  -0.02  -0.11     0.02  -0.11  -0.00    -0.19   0.15  -0.02
    17   1    -0.33   0.02  -0.32    -0.05   0.15   0.19    -0.06  -0.01   0.00
    18   1     0.04   0.49  -0.13    -0.13   0.15   0.26    -0.05   0.03   0.04
    19   1    -0.05   0.19  -0.07    -0.25  -0.13  -0.08    -0.11  -0.10  -0.07
    20   1     0.08   0.06  -0.01     0.20  -0.11   0.25     0.11  -0.01   0.14
    21   1     0.12   0.12  -0.05     0.04  -0.12   0.21    -0.06   0.03   0.05
    22   1     0.28   0.08   0.13    -0.15  -0.06   0.04    -0.02   0.02   0.07
    23   1     0.00  -0.03  -0.09    -0.08   0.03   0.25    -0.14   0.20  -0.06
    24   1    -0.01   0.03   0.05     0.11  -0.10  -0.14    -0.08   0.17  -0.14
    25   1     0.02   0.04   0.00     0.06  -0.02  -0.03    -0.32  -0.19  -0.02
    26   1    -0.00   0.00   0.02     0.07  -0.10  -0.04    -0.14   0.35  -0.20
    27   1    -0.01   0.00   0.01     0.15   0.16  -0.07    -0.29  -0.14  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    529.8795               571.1037               592.5872
 Red. masses --      3.4216                 2.8922                 2.7614
 Frc consts  --      0.5660                 0.5558                 0.5713
 IR Inten    --      7.5931                11.4302                 0.7370
 RamAct Fr= 1--      1.5736                 7.7596                 0.9589
  Dep-P Fr= 1--      0.4407                 0.0698                 0.0727
  Dep-U Fr= 1--      0.6118                 0.1306                 0.1355
 Alpha2 Fr= 1--      0.0100                 0.1462                 0.0179
 Beta2  Fr= 1--      0.1605                 0.1688                 0.0217
 AlphaG Fr= 1--      0.0117                 0.1824                -0.1273
 Gamma2 Fr= 1--      0.5808                -0.4330                -0.3945
 Delta2 Fr= 1--      0.2035                -0.1185                 0.1596
 Raman1 Fr= 1--       6.294                 31.038                  3.836
 ROA1   Fr= 1--      62.267                -45.357                -32.763
 CID1   Fr= 1--       9.893                 -1.461                 -8.542
 Raman2 Fr= 1--       1.925                  2.026                  0.260
 ROA2   Fr= 1--      12.311                 -9.444                -10.745
 CID2   Fr= 1--       6.394                 -4.661                -41.338
 Raman3 Fr= 1--       3.851                  4.052                  0.520
 ROA3   Fr= 1--      62.267                -45.357                -32.763
 CID3   Fr= 1--      16.169                -11.193                -63.023
 RC180  Fr= 1--       0.224                 -0.739                 -0.729
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.04    -0.04  -0.10  -0.07    -0.04  -0.10  -0.07
     2   6     0.02   0.02   0.04     0.06  -0.06  -0.06    -0.02  -0.06   0.01
     3   6    -0.14  -0.02  -0.11     0.08   0.02   0.02     0.09   0.07   0.01
     4   6    -0.13   0.05  -0.08     0.02   0.14   0.01     0.12  -0.01  -0.09
     5   6    -0.10   0.04  -0.05    -0.11  -0.01   0.01     0.03  -0.08  -0.05
     6   6    -0.01  -0.02   0.20    -0.08  -0.10  -0.13    -0.11   0.09   0.20
     7   8     0.23   0.08  -0.03     0.05   0.16  -0.00    -0.03  -0.01  -0.09
     8   6     0.05  -0.02  -0.00     0.07  -0.01   0.05     0.00   0.00   0.01
     9   6     0.00  -0.01  -0.00    -0.02   0.03   0.03    -0.03  -0.01   0.08
    10   6    -0.00  -0.03  -0.00    -0.02   0.03   0.04    -0.00   0.10   0.05
    11   6     0.01  -0.14   0.05     0.00  -0.13   0.04    -0.01   0.03   0.01
    12   1    -0.03   0.03  -0.06    -0.07   0.09  -0.04    -0.04  -0.05  -0.01
    13   1    -0.04  -0.07   0.03    -0.09   0.05   0.08    -0.09   0.03   0.12
    14   1    -0.26  -0.00  -0.07     0.10  -0.05   0.00     0.01   0.05   0.03
    15   1     0.14   0.15   0.06    -0.18  -0.17  -0.03    -0.13  -0.07  -0.08
    16   1     0.07  -0.26   0.09    -0.12   0.24   0.00    -0.11   0.30   0.02
    17   1    -0.01   0.05   0.03    -0.08  -0.08  -0.05    -0.05  -0.15  -0.13
    18   1     0.01   0.09   0.07    -0.06  -0.03  -0.01    -0.02  -0.09  -0.10
    19   1    -0.02   0.04   0.01    -0.12  -0.18  -0.12    -0.01  -0.05  -0.05
    20   1    -0.03  -0.03  -0.08     0.18  -0.01   0.16     0.04   0.05   0.04
    21   1     0.14  -0.05  -0.02    -0.05   0.04   0.04    -0.09   0.07  -0.03
    22   1     0.08  -0.04  -0.02     0.05   0.02   0.09     0.08   0.03   0.06
    23   1    -0.25   0.16   0.17     0.09   0.10  -0.07     0.22  -0.00   0.01
    24   1    -0.14  -0.06  -0.36    -0.32   0.04   0.08     0.06  -0.13  -0.18
    25   1    -0.07  -0.40   0.03     0.21   0.21   0.05    -0.05  -0.37  -0.03
    26   1     0.05  -0.22  -0.10    -0.01  -0.36   0.29     0.07  -0.18  -0.20
    27   1     0.14   0.07  -0.10     0.05  -0.19   0.18     0.24   0.40  -0.24
                     19                     20                     21
                      A                      A                      A
 Frequencies --    642.8687               734.4497               804.5644
 Red. masses --      3.0557                 1.4617                 2.3306
 Frc consts  --      0.7441                 0.4646                 0.8889
 IR Inten    --      4.5884                 1.7872                 1.0794
 RamAct Fr= 1--      9.8330                 3.5809                 8.2941
  Dep-P Fr= 1--      0.1274                 0.0227                 0.0295
  Dep-U Fr= 1--      0.2260                 0.0444                 0.0573
 Alpha2 Fr= 1--      0.1609                 0.0754                 0.1720
 Beta2  Fr= 1--      0.3703                 0.0265                 0.0792
 AlphaG Fr= 1--      0.0615                -0.0205                -0.3092
 Gamma2 Fr= 1--      1.3167                -0.4624                 0.2935
 Delta2 Fr= 1--      0.9988                -0.0882                -0.6068
 Raman1 Fr= 1--      39.332                 14.323                 33.176
 ROA1   Fr= 1--     158.361                -47.209                  8.762
 CID1   Fr= 1--       4.026                 -3.296                  0.264
 Raman2 Fr= 1--       4.444                  0.318                  0.951
 ROA2   Fr= 1--      23.610                -10.391                 11.899
 CID2   Fr= 1--       5.313                -32.653                 12.515
 Raman3 Fr= 1--       8.887                  0.636                  1.902
 ROA3   Fr= 1--     158.361                -47.209                  8.762
 CID3   Fr= 1--      17.819                -74.173                  4.608
 RC180  Fr= 1--      -0.548                 -0.911                 -0.885
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.15   0.10    -0.02  -0.05  -0.03     0.00  -0.02  -0.04
     2   6    -0.05   0.08   0.02    -0.01  -0.01   0.02     0.05   0.04  -0.08
     3   6     0.15  -0.10   0.12    -0.01   0.05   0.09    -0.07  -0.00   0.21
     4   6     0.08   0.07  -0.05     0.02   0.02  -0.00    -0.13  -0.07   0.06
     5   6    -0.00   0.01  -0.04     0.02  -0.00  -0.02     0.02   0.02  -0.12
     6   6    -0.10   0.00   0.03    -0.02   0.01   0.02     0.01   0.04   0.03
     7   8    -0.01   0.06  -0.04    -0.01   0.01  -0.01     0.01   0.01  -0.01
     8   6    -0.14   0.04  -0.06     0.05  -0.01   0.03     0.03   0.01  -0.01
     9   6     0.01  -0.07  -0.08    -0.05   0.07  -0.08     0.03   0.01  -0.02
    10   6     0.02  -0.15  -0.00    -0.05  -0.06  -0.03     0.07   0.02  -0.03
    11   6    -0.03  -0.07   0.03    -0.01  -0.01   0.01    -0.00  -0.04   0.06
    12   1     0.08  -0.13   0.10     0.06   0.17   0.41     0.00  -0.01  -0.16
    13   1     0.14  -0.03  -0.17     0.34   0.10  -0.36    -0.08   0.07   0.06
    14   1     0.14  -0.23   0.09    -0.04   0.14   0.12     0.03   0.00   0.18
    15   1    -0.20  -0.38   0.04     0.06   0.19   0.37     0.06  -0.06  -0.29
    16   1    -0.01   0.13  -0.17     0.28  -0.33  -0.19    -0.03   0.25  -0.08
    17   1     0.10   0.14   0.10    -0.03  -0.09  -0.09     0.02   0.09   0.12
    18   1     0.08   0.07   0.03    -0.00  -0.04  -0.07    -0.04  -0.07   0.02
    19   1     0.14   0.22   0.16     0.01   0.01  -0.01    -0.08  -0.19  -0.07
    20   1    -0.17  -0.01  -0.07     0.07  -0.02   0.06     0.14  -0.07   0.13
    21   1    -0.07  -0.03  -0.01     0.04  -0.02   0.04    -0.01  -0.03   0.06
    22   1    -0.25   0.01  -0.11     0.04  -0.01   0.04    -0.16   0.03  -0.02
    23   1     0.03   0.05  -0.12     0.06  -0.02  -0.10    -0.18  -0.20  -0.39
    24   1    -0.14   0.03  -0.04    -0.01   0.03   0.06    -0.00   0.18   0.34
    25   1     0.04  -0.12   0.01    -0.01  -0.07   0.00    -0.10  -0.30   0.03
    26   1     0.01  -0.27   0.04     0.00  -0.06  -0.02     0.02  -0.01  -0.10
    27   1     0.11   0.08  -0.03     0.03   0.04  -0.03     0.00   0.06  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    818.7282               859.2869               892.4254
 Red. masses --      3.4602                 2.4072                 1.8324
 Frc consts  --      1.3666                 1.0472                 0.8598
 IR Inten    --      2.8623                 2.7187                 0.2732
 RamAct Fr= 1--      9.7872                21.7979                 5.3584
  Dep-P Fr= 1--      0.6628                 0.6888                 0.5397
  Dep-U Fr= 1--      0.7972                 0.8158                 0.7011
 Alpha2 Fr= 1--      0.0152                 0.0234                 0.0217
 Beta2  Fr= 1--      1.3004                 2.9636                 0.6261
 AlphaG Fr= 1--     -0.0141                 0.1087                 0.2250
 Gamma2 Fr= 1--     -2.3546                 4.9615                -2.6353
 Delta2 Fr= 1--     -0.0641                 0.0922                -1.2839
 Raman1 Fr= 1--      39.149                 87.191                 21.433
 ROA1   Fr= 1--    -228.094                479.253               -294.069
 CID1   Fr= 1--      -5.826                  5.497                -13.720
 Raman2 Fr= 1--      15.605                 35.563                  7.513
 ROA2   Fr= 1--     -55.997                118.338                -52.975
 CID2   Fr= 1--      -3.588                  3.328                 -7.051
 Raman3 Fr= 1--      31.210                 71.127                 15.026
 ROA3   Fr= 1--    -228.094                479.253               -294.069
 CID3   Fr= 1--      -7.308                  6.738                -19.570
 RC180  Fr= 1--       0.594                  0.632                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01    -0.06  -0.05   0.02     0.01   0.01  -0.02
     2   6     0.03   0.01  -0.04    -0.12   0.00   0.11     0.02   0.03  -0.05
     3   6    -0.02   0.04   0.07     0.06  -0.10   0.02     0.02  -0.03   0.09
     4   6    -0.04   0.09  -0.02    -0.07  -0.06  -0.03    -0.03  -0.07  -0.10
     5   6    -0.19  -0.16  -0.03    -0.04   0.02   0.02    -0.05   0.04   0.08
     6   6     0.01  -0.13   0.06     0.01  -0.01   0.00     0.01  -0.00   0.00
     7   8     0.09  -0.08   0.05     0.02  -0.01   0.01     0.01  -0.00   0.01
     8   6     0.01   0.00  -0.01     0.06  -0.02   0.08     0.03   0.01  -0.03
     9   6     0.01  -0.01  -0.04     0.02   0.15  -0.14    -0.07  -0.09   0.02
    10   6     0.02  -0.07   0.03     0.09   0.06  -0.01     0.02   0.13   0.01
    11   6     0.05   0.28  -0.08     0.02   0.01  -0.01     0.02  -0.01  -0.03
    12   1     0.02  -0.01   0.00     0.05   0.04  -0.18     0.07  -0.25   0.29
    13   1     0.02   0.04  -0.04    -0.05   0.30  -0.09     0.20  -0.01  -0.17
    14   1    -0.08  -0.04   0.07     0.01  -0.22   0.01    -0.10  -0.15   0.10
    15   1    -0.09  -0.20   0.02    -0.13  -0.21  -0.07    -0.02   0.10   0.05
    16   1    -0.01   0.07  -0.05    -0.05   0.35  -0.07     0.18   0.22  -0.22
    17   1     0.01   0.05   0.05    -0.02  -0.25  -0.26     0.01   0.08   0.09
    18   1    -0.01   0.01   0.03     0.04  -0.07  -0.18    -0.02  -0.02   0.03
    19   1    -0.03  -0.05  -0.02     0.15   0.29   0.12    -0.05  -0.11  -0.04
    20   1     0.06  -0.04   0.06    -0.09   0.03  -0.10     0.16  -0.10   0.15
    21   1    -0.00  -0.02   0.03     0.18  -0.04   0.03    -0.02  -0.04   0.09
    22   1    -0.08   0.01  -0.02     0.24  -0.07   0.06    -0.23   0.04  -0.04
    23   1     0.13   0.02  -0.10    -0.21  -0.01   0.05    -0.19   0.08   0.26
    24   1    -0.54  -0.09   0.03    -0.01  -0.04  -0.14     0.09  -0.15  -0.41
    25   1     0.12   0.27  -0.09    -0.00   0.05  -0.00     0.01   0.14  -0.00
    26   1     0.07   0.25  -0.11     0.01   0.06   0.00    -0.01   0.07   0.05
    27   1     0.15   0.38  -0.11    -0.02  -0.04   0.02    -0.06  -0.13   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --    909.0954               941.9946               956.7925
 Red. masses --      2.1648                 2.2409                 1.5722
 Frc consts  --      1.0541                 1.1716                 0.8480
 IR Inten    --      0.8039                 4.1175                 0.4144
 RamAct Fr= 1--      5.6821                15.7587                 4.5591
  Dep-P Fr= 1--      0.5935                 0.3587                 0.5017
  Dep-U Fr= 1--      0.7449                 0.5281                 0.6682
 Alpha2 Fr= 1--      0.0165                 0.1345                 0.0223
 Beta2  Fr= 1--      0.7054                 1.3869                 0.5077
 AlphaG Fr= 1--      0.2716                 0.3749                 0.0017
 Gamma2 Fr= 1--      1.1686                -0.5589                 1.2594
 Delta2 Fr= 1--     -0.6728                -1.2661                 0.1326
 Raman1 Fr= 1--      22.728                 63.035                 18.236
 ROA1   Fr= 1--      90.659                -94.166                125.150
 CID1   Fr= 1--       3.989                 -1.494                  6.863
 Raman2 Fr= 1--       8.465                 16.643                  6.092
 ROA2   Fr= 1--      33.429                 -3.284                 29.165
 CID2   Fr= 1--       3.949                 -0.197                  4.787
 Raman3 Fr= 1--      16.930                 33.286                 12.185
 ROA3   Fr= 1--      90.659                -94.166                125.150
 CID3   Fr= 1--       5.355                 -2.829                 10.271
 RC180  Fr= 1--       0.490                  0.056                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.03    -0.05   0.02  -0.02    -0.05   0.11   0.02
     2   6    -0.06  -0.01  -0.03    -0.06   0.07  -0.06    -0.06  -0.04  -0.06
     3   6     0.05  -0.08  -0.13    -0.08   0.10  -0.01    -0.01   0.01  -0.00
     4   6    -0.05   0.04   0.11     0.03   0.01  -0.01     0.01   0.00  -0.01
     5   6     0.01  -0.03  -0.09     0.02  -0.01   0.02     0.00   0.00   0.01
     6   6    -0.00  -0.01   0.00     0.01   0.03  -0.01    -0.00   0.00   0.00
     7   8     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
     8   6     0.06  -0.02   0.03     0.12   0.01   0.04     0.07  -0.09  -0.01
     9   6    -0.07  -0.09   0.01     0.05  -0.10  -0.14    -0.05   0.03   0.07
    10   6    -0.03   0.16   0.03    -0.05  -0.05   0.15     0.04  -0.06  -0.06
    11   6    -0.00   0.02   0.02     0.01  -0.03   0.01    -0.00  -0.00  -0.00
    12   1     0.08  -0.31   0.25     0.17  -0.48  -0.20    -0.05   0.06   0.10
    13   1     0.18  -0.02  -0.18    -0.00   0.13  -0.10    -0.06   0.17   0.08
    14   1     0.29  -0.32  -0.24    -0.12   0.05  -0.01    -0.01   0.06   0.01
    15   1    -0.03   0.20   0.18    -0.16  -0.18   0.12     0.09  -0.05  -0.19
    16   1     0.12   0.06  -0.05    -0.26   0.01   0.34     0.01  -0.02  -0.05
    17   1     0.04   0.06   0.05     0.10   0.05   0.06     0.25   0.19   0.21
    18   1     0.01   0.00   0.01    -0.03  -0.22  -0.15    -0.04  -0.35  -0.19
    19   1     0.04   0.07   0.06     0.09   0.06   0.09     0.21   0.15   0.25
    20   1     0.06  -0.01   0.03     0.15  -0.10   0.11     0.32   0.06   0.21
    21   1     0.04  -0.01   0.02     0.19  -0.10   0.15    -0.33   0.16  -0.12
    22   1     0.09  -0.02   0.05    -0.09  -0.02  -0.04     0.21   0.07   0.22
    23   1     0.00  -0.11  -0.29     0.16   0.01   0.07     0.02   0.01   0.03
    24   1    -0.14   0.14   0.34     0.11  -0.03  -0.01     0.02  -0.02  -0.04
    25   1    -0.01  -0.11   0.00    -0.04  -0.05   0.02     0.01   0.02  -0.00
    26   1     0.02  -0.02  -0.06    -0.00   0.03  -0.01    -0.00  -0.01   0.01
    27   1     0.05   0.13  -0.07    -0.04  -0.07   0.01     0.00  -0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    981.5139               989.2125              1009.5456
 Red. masses --      1.8160                 1.5828                 1.4932
 Frc consts  --      1.0307                 0.9126                 0.8966
 IR Inten    --      0.0096                 3.7364                19.0275
 RamAct Fr= 1--      6.4409                11.1476                28.5260
  Dep-P Fr= 1--      0.2346                 0.4179                 0.3690
  Dep-U Fr= 1--      0.3800                 0.5895                 0.5391
 Alpha2 Fr= 1--      0.0797                 0.0774                 0.2352
 Beta2  Fr= 1--      0.4080                 1.0952                 2.5630
 AlphaG Fr= 1--      0.0040                 0.0031                 0.1444
 Gamma2 Fr= 1--     -1.4464                -1.5558                 1.5992
 Delta2 Fr= 1--      0.1190                -0.1267                 0.5592
 Raman1 Fr= 1--      25.764                 44.591                114.104
 ROA1   Fr= 1--    -135.042               -153.411                171.420
 CID1   Fr= 1--      -5.242                 -3.440                  1.502
 Raman2 Fr= 1--       4.896                 13.142                 30.756
 ROA2   Fr= 1--     -35.664                -36.325                 33.908
 CID2   Fr= 1--      -7.285                 -2.764                  1.102
 Raman3 Fr= 1--       9.791                 26.285                 61.512
 ROA3   Fr= 1--    -135.042               -153.411                171.420
 CID3   Fr= 1--     -13.792                 -5.836                  2.787
 RC180  Fr= 1--      -0.240                  0.179                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.03     0.06  -0.00   0.10     0.00   0.02  -0.06
     2   6    -0.06   0.07  -0.00     0.02  -0.09  -0.02    -0.01   0.03   0.00
     3   6    -0.03  -0.02  -0.04    -0.01   0.05  -0.05     0.02   0.02  -0.01
     4   6     0.04   0.03   0.00    -0.02  -0.00   0.01     0.01   0.02  -0.01
     5   6     0.03  -0.00  -0.00    -0.03  -0.03  -0.01    -0.07  -0.07   0.01
     6   6    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.02   0.05  -0.01
     7   8    -0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.03   0.04  -0.02
     8   6     0.07   0.08   0.06     0.00  -0.01  -0.06    -0.02  -0.00   0.06
     9   6    -0.10   0.00   0.11    -0.07   0.02  -0.01    -0.01  -0.01   0.02
    10   6     0.07  -0.09  -0.08     0.05  -0.03   0.02     0.02  -0.03  -0.01
    11   6    -0.03   0.01  -0.01     0.05  -0.03   0.03     0.11  -0.04   0.04
    12   1    -0.03  -0.10   0.26     0.02  -0.09   0.19    -0.04   0.11   0.07
    13   1    -0.05   0.33   0.08     0.01   0.39  -0.07     0.03  -0.14  -0.01
    14   1    -0.00  -0.06  -0.06    -0.08   0.10  -0.02     0.02  -0.13  -0.04
    15   1     0.14  -0.10  -0.37    -0.03  -0.16  -0.09    -0.08  -0.12   0.07
    16   1    -0.00  -0.02  -0.06    -0.06   0.13   0.03     0.09   0.07  -0.16
    17   1    -0.04  -0.01  -0.01    -0.17  -0.20  -0.24     0.07   0.17   0.18
    18   1    -0.02  -0.03  -0.01     0.13   0.43   0.14    -0.08  -0.15   0.02
    19   1    -0.04  -0.06  -0.04    -0.02   0.19  -0.04    -0.05  -0.19  -0.04
    20   1    -0.13  -0.16  -0.07     0.18  -0.07   0.15    -0.21   0.08  -0.18
    21   1     0.48  -0.24   0.26    -0.17   0.01   0.02     0.15  -0.00  -0.05
    22   1    -0.24  -0.08  -0.20    -0.19   0.05  -0.02     0.22  -0.07   0.02
    23   1     0.07   0.04   0.06     0.10  -0.02   0.04     0.14   0.00   0.04
    24   1     0.01   0.03   0.09     0.03  -0.01   0.08    -0.05  -0.07   0.02
    25   1     0.06   0.05  -0.02    -0.14  -0.15   0.04    -0.26  -0.24   0.08
    26   1    -0.02  -0.11   0.04     0.03   0.24  -0.09     0.06   0.47  -0.17
    27   1     0.05   0.06   0.00    -0.13  -0.15  -0.01    -0.23  -0.27  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.2014              1030.8106              1051.2846
 Red. masses --      1.1338                 1.5412                 1.8556
 Frc consts  --      0.7021                 0.9649                 1.2083
 IR Inten    --     29.8890                 0.9688                 0.6103
 RamAct Fr= 1--      2.6653                 4.9110                 1.2629
  Dep-P Fr= 1--      0.3383                 0.4447                 0.6146
  Dep-U Fr= 1--      0.5055                 0.6156                 0.7613
 Alpha2 Fr= 1--      0.0243                 0.0307                 0.0031
 Beta2  Fr= 1--      0.2246                 0.5039                 0.1602
 AlphaG Fr= 1--      0.5236                 0.0207                 0.0206
 Gamma2 Fr= 1--      1.3283                 2.6891                 0.1510
 Delta2 Fr= 1--      0.3032                 2.3119                 0.0794
 Raman1 Fr= 1--      10.661                 19.644                  5.052
 ROA1   Fr= 1--     137.219                332.131                 17.039
 CID1   Fr= 1--      12.871                 16.908                  3.373
 Raman2 Fr= 1--       2.695                  6.047                  1.923
 ROA2   Fr= 1--      29.453                 46.042                  2.990
 CID2   Fr= 1--      10.929                  7.614                  1.555
 Raman3 Fr= 1--       5.390                 12.094                  3.846
 ROA3   Fr= 1--     137.219                332.131                 17.039
 CID3   Fr= 1--      25.459                 27.463                  4.431
 RC180  Fr= 1--       0.011                  0.231                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00     0.10   0.04  -0.02     0.00   0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.02  -0.05  -0.03    -0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.01    -0.08   0.03   0.01     0.00   0.00  -0.00
     4   6     0.03  -0.02  -0.06     0.02   0.00   0.00    -0.02   0.01   0.04
     5   6     0.02  -0.02  -0.05     0.05   0.02   0.02     0.01  -0.02  -0.06
     6   6    -0.01   0.01   0.03     0.00  -0.00  -0.00    -0.05   0.07   0.19
     7   8     0.00  -0.00  -0.01     0.01  -0.02   0.01     0.01  -0.01  -0.03
     8   6    -0.01  -0.01   0.00    -0.03  -0.06   0.07    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.02    -0.05   0.01  -0.06     0.00  -0.00   0.00
    10   6     0.00   0.02   0.01     0.04  -0.00   0.03    -0.00  -0.00   0.00
    11   6    -0.00  -0.01  -0.02    -0.05   0.00  -0.01     0.04  -0.05  -0.14
    12   1     0.01  -0.01   0.00     0.03  -0.09   0.08    -0.00   0.00  -0.00
    13   1     0.02  -0.00  -0.03     0.04   0.23  -0.12    -0.00   0.00   0.00
    14   1    -0.10  -0.07   0.02    -0.10  -0.14  -0.02     0.05   0.03  -0.01
    15   1    -0.01   0.00   0.00    -0.06  -0.13  -0.05     0.00  -0.00   0.00
    16   1     0.01   0.04  -0.01    -0.02   0.19  -0.04    -0.00  -0.01   0.01
    17   1    -0.00   0.02   0.02    -0.06   0.20   0.18    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.02    -0.02   0.20   0.26     0.00   0.01   0.00
    19   1    -0.01  -0.02  -0.01    -0.18  -0.29  -0.18    -0.01  -0.01  -0.00
    20   1    -0.01   0.02  -0.01    -0.19   0.14  -0.18    -0.01  -0.00  -0.01
    21   1    -0.03   0.02  -0.03     0.01   0.08  -0.15     0.01  -0.00   0.00
    22   1     0.06  -0.00   0.03     0.40  -0.07   0.12     0.00  -0.00  -0.00
    23   1    -0.14   0.24   0.63     0.10  -0.03  -0.07     0.06  -0.11  -0.29
    24   1    -0.14   0.23   0.62     0.15  -0.04  -0.11    -0.00  -0.01  -0.02
    25   1     0.02   0.09  -0.01     0.11   0.08  -0.03     0.06   0.59  -0.05
    26   1    -0.02  -0.01   0.06    -0.03  -0.22   0.07    -0.08   0.12   0.29
    27   1    -0.01  -0.05   0.05     0.10   0.10   0.01    -0.14  -0.49   0.31
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1101.6406              1107.1323              1165.0677
 Red. masses --      1.8477                 1.3105                 1.7181
 Frc consts  --      1.3212                 0.9464                 1.3741
 IR Inten    --     20.0483                 8.8172                 3.0031
 RamAct Fr= 1--     61.0989                 5.6206                40.3316
  Dep-P Fr= 1--      0.2375                 0.6211                 0.4391
  Dep-U Fr= 1--      0.3838                 0.7663                 0.6103
 Alpha2 Fr= 1--      0.7498                 0.0132                 0.2581
 Beta2  Fr= 1--      3.9086                 0.7178                 4.1022
 AlphaG Fr= 1--      0.6011                 0.0739                 0.9639
 Gamma2 Fr= 1--      4.8628                 5.4541                 9.2586
 Delta2 Fr= 1--      2.1585                -0.2795                 2.1710
 Raman1 Fr= 1--     244.395                 22.483                161.327
 ROA1   Fr= 1--     535.897                514.646                958.300
 CID1   Fr= 1--       2.193                 22.891                  5.940
 Raman2 Fr= 1--      46.903                  8.614                 49.226
 ROA2   Fr= 1--      99.439                133.133                204.840
 CID2   Fr= 1--       2.120                 15.456                  4.161
 Raman3 Fr= 1--      93.805                 17.227                 98.452
 ROA3   Fr= 1--     535.897                514.646                958.300
 CID3   Fr= 1--       5.713                 29.874                  9.734
 RC180  Fr= 1--      -0.232                  0.533                  0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.04    -0.04  -0.01   0.02    -0.02  -0.02   0.07
     2   6     0.01   0.00   0.04     0.04   0.01  -0.00     0.03   0.02  -0.14
     3   6     0.13   0.09  -0.09    -0.08   0.06  -0.05     0.01   0.11   0.05
     4   6    -0.11  -0.10   0.00    -0.03   0.01   0.02    -0.02  -0.07  -0.05
     5   6    -0.01   0.05  -0.03     0.02   0.00  -0.00    -0.03   0.04  -0.00
     6   6     0.01  -0.01  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.01
     7   8     0.02  -0.02   0.01     0.00  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02   0.01   0.01     0.00   0.01  -0.02    -0.02  -0.01   0.07
     9   6    -0.04  -0.02   0.03     0.01  -0.02   0.01    -0.00  -0.06   0.01
    10   6     0.06  -0.06   0.04     0.06  -0.02   0.04    -0.03  -0.03   0.03
    11   6    -0.03   0.01  -0.01    -0.04  -0.01  -0.01    -0.00   0.00  -0.00
    12   1    -0.00  -0.04   0.14    -0.11   0.40   0.10    -0.06   0.17   0.07
    13   1     0.02   0.01  -0.02     0.09  -0.34  -0.05    -0.01   0.07   0.02
    14   1     0.11   0.68   0.02    -0.19  -0.37  -0.10     0.67  -0.16  -0.19
    15   1    -0.25  -0.32   0.29    -0.15  -0.24   0.09     0.13   0.09  -0.15
    16   1     0.03   0.13  -0.06     0.15   0.30  -0.29     0.00  -0.06   0.02
    17   1     0.05   0.11   0.11     0.04  -0.10  -0.09    -0.01  -0.16  -0.16
    18   1    -0.05  -0.12  -0.00     0.02  -0.07  -0.12     0.09   0.10  -0.08
    19   1    -0.02  -0.12  -0.01     0.08   0.14   0.09     0.06   0.24   0.05
    20   1    -0.07   0.01  -0.04     0.04  -0.03   0.03    -0.16   0.09  -0.13
    21   1     0.03  -0.01   0.01    -0.01  -0.01   0.02     0.15   0.02  -0.08
    22   1    -0.01  -0.01  -0.02    -0.09   0.02  -0.03     0.22  -0.09   0.00
    23   1    -0.22  -0.06   0.04     0.18  -0.04   0.00    -0.15   0.00   0.08
    24   1     0.02   0.08   0.08     0.18  -0.01   0.06    -0.06   0.02  -0.07
    25   1     0.06   0.04  -0.02     0.06   0.03  -0.02     0.01   0.02  -0.00
    26   1    -0.01  -0.12   0.03    -0.02  -0.14   0.05    -0.00  -0.02   0.01
    27   1     0.05   0.07  -0.00     0.05   0.04   0.02     0.01   0.01   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.9199              1226.9958              1244.1068
 Red. masses --      1.6998                 1.4768                 1.9045
 Frc consts  --      1.4443                 1.3099                 1.7367
 IR Inten    --      3.1661                 8.7545                 2.7028
 RamAct Fr= 1--      4.7624                11.5707                 9.8921
  Dep-P Fr= 1--      0.7482                 0.5960                 0.2661
  Dep-U Fr= 1--      0.8560                 0.7469                 0.4204
 Alpha2 Fr= 1--      0.0001                 0.0331                 0.1120
 Beta2  Fr= 1--      0.6794                 1.4403                 0.6931
 AlphaG Fr= 1--     -0.0036                 0.0525                 0.1311
 Gamma2 Fr= 1--      1.3329                 1.9266                 0.6666
 Delta2 Fr= 1--      0.6360                 0.0253                 0.3405
 Raman1 Fr= 1--      19.050                 46.283                 39.568
 ROA1   Fr= 1--     148.316                185.759                 74.890
 CID1   Fr= 1--       7.786                  4.014                  1.893
 Raman2 Fr= 1--       8.153                 17.284                  8.317
 ROA2   Fr= 1--      26.902                 46.036                 13.275
 CID2   Fr= 1--       3.300                  2.663                  1.596
 Raman3 Fr= 1--      16.306                 34.568                 16.633
 ROA3   Fr= 1--     148.316                185.759                 74.890
 CID3   Fr= 1--       9.096                  5.374                  4.502
 RC180  Fr= 1--       0.712                  0.494                 -0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.01     0.03   0.02  -0.05     0.01  -0.07  -0.00
     2   6     0.15  -0.02  -0.05    -0.07  -0.03   0.11     0.03   0.21   0.04
     3   6     0.02  -0.08  -0.01     0.02   0.03  -0.01     0.01  -0.01  -0.03
     4   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
     6   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.00    -0.02  -0.02   0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.06   0.02   0.05     0.03   0.01  -0.04    -0.01  -0.09  -0.02
     9   6    -0.06  -0.05  -0.06    -0.02  -0.05  -0.09    -0.08   0.07   0.01
    10   6     0.01   0.04   0.08     0.02   0.01   0.07     0.03  -0.06   0.05
    11   6     0.01   0.00   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    12   1    -0.05   0.14   0.18    -0.14   0.55   0.19     0.09  -0.37   0.10
    13   1     0.09   0.10  -0.16     0.08  -0.08  -0.16     0.16  -0.48  -0.18
    14   1    -0.42   0.35   0.19     0.25  -0.08  -0.09     0.04   0.02  -0.03
    15   1     0.19   0.12  -0.37     0.21   0.08  -0.38     0.16  -0.04  -0.36
    16   1    -0.07   0.09   0.14    -0.19  -0.00   0.31    -0.06   0.01   0.09
    17   1     0.15  -0.03  -0.01    -0.02   0.14   0.12    -0.13  -0.16  -0.16
    18   1     0.00  -0.15  -0.18    -0.07  -0.05   0.11     0.03   0.03  -0.02
    19   1     0.13   0.14   0.15    -0.04  -0.17  -0.05    -0.10  -0.05  -0.12
    20   1    -0.25   0.07  -0.18     0.10  -0.07   0.09     0.13   0.17   0.05
    21   1     0.11   0.02  -0.07    -0.07  -0.03   0.09    -0.22   0.11  -0.15
    22   1     0.08  -0.08  -0.06    -0.15   0.06  -0.01     0.17   0.07   0.19
    23   1    -0.02   0.00  -0.07    -0.05   0.01   0.01     0.04  -0.01   0.00
    24   1     0.00  -0.01   0.01     0.01   0.01  -0.01     0.06   0.01   0.02
    25   1    -0.01  -0.01   0.00    -0.02   0.01   0.01    -0.01   0.01   0.00
    26   1     0.00   0.02  -0.01     0.01   0.06  -0.02     0.00   0.04  -0.01
    27   1    -0.01  -0.00  -0.01    -0.01   0.00  -0.02    -0.00   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1269.7344              1277.9738              1286.1527
 Red. masses --      1.6016                 2.9338                 1.6943
 Frc consts  --      1.5214                 2.8231                 1.6513
 IR Inten    --     40.6148               112.5049                11.6195
 RamAct Fr= 1--     49.3419                10.0663                 4.2928
  Dep-P Fr= 1--      0.2442                 0.3273                 0.5835
  Dep-U Fr= 1--      0.3926                 0.4931                 0.7370
 Alpha2 Fr= 1--      0.5943                 0.0950                 0.0134
 Beta2  Fr= 1--      3.2285                 0.8274                 0.5273
 AlphaG Fr= 1--      0.2454                -0.0308                -0.0029
 Gamma2 Fr= 1--     10.1123                -1.4712                 0.2960
 Delta2 Fr= 1--      5.2764                -0.6273                -0.5748
 Raman1 Fr= 1--     197.368                 40.265                 17.171
 ROA1   Fr= 1--    1139.621               -161.306                 10.019
 CID1   Fr= 1--       5.774                 -4.006                  0.583
 Raman2 Fr= 1--      38.742                  9.928                  6.328
 ROA2   Fr= 1--     200.483                -30.290                 11.701
 CID2   Fr= 1--       5.175                 -3.051                  1.849
 Raman3 Fr= 1--      77.484                 19.857                 12.655
 ROA3   Fr= 1--    1139.621               -161.306                 10.019
 CID3   Fr= 1--      14.708                 -8.124                  0.792
 RC180  Fr= 1--      -0.215                 -0.014                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.00   0.01  -0.03    -0.04   0.04  -0.02
     2   6     0.08  -0.04   0.02     0.03  -0.01   0.08     0.10  -0.11   0.06
     3   6    -0.05   0.02   0.03     0.11   0.02   0.00     0.02   0.05   0.02
     4   6     0.03  -0.02   0.00    -0.07   0.03  -0.02    -0.05   0.02  -0.03
     5   6    -0.01  -0.02   0.01    -0.16  -0.08  -0.02    -0.03   0.04  -0.02
     6   6     0.08   0.07  -0.01     0.22   0.21  -0.02    -0.07  -0.07   0.01
     7   8    -0.02  -0.01  -0.00    -0.00  -0.05   0.02     0.03  -0.00   0.01
     8   6    -0.02   0.01  -0.00    -0.01  -0.00  -0.02    -0.03   0.04  -0.01
     9   6    -0.07   0.04   0.00     0.01   0.01  -0.02    -0.04   0.08  -0.00
    10   6     0.10   0.04  -0.09    -0.09  -0.04   0.05    -0.02  -0.03  -0.02
    11   6    -0.02  -0.01  -0.00    -0.09  -0.02  -0.01     0.01   0.00   0.00
    12   1     0.01  -0.11   0.11     0.06  -0.14  -0.05     0.11  -0.38  -0.07
    13   1     0.13  -0.21  -0.15    -0.08   0.23   0.05     0.04  -0.04  -0.06
    14   1     0.15  -0.17  -0.06     0.01  -0.19  -0.01     0.19  -0.29  -0.09
    15   1    -0.17  -0.17   0.23     0.26   0.24  -0.32     0.08   0.08  -0.02
    16   1    -0.36  -0.17   0.55     0.13  -0.05  -0.19    -0.08  -0.02   0.05
    17   1     0.08  -0.01  -0.01     0.02   0.04   0.04     0.14   0.04   0.04
    18   1    -0.02  -0.09  -0.07    -0.04  -0.08   0.01    -0.05  -0.15  -0.06
    19   1     0.05  -0.00   0.07    -0.01  -0.10   0.00     0.08  -0.06   0.11
    20   1    -0.05  -0.01  -0.03    -0.00   0.00  -0.00    -0.08  -0.06  -0.03
    21   1     0.01   0.00  -0.01    -0.07   0.01   0.00     0.02  -0.02   0.03
    22   1    -0.03  -0.02  -0.04    -0.05   0.02   0.01    -0.08  -0.02  -0.09
    23   1    -0.07  -0.00  -0.02     0.28  -0.02   0.07     0.20  -0.01   0.06
    24   1    -0.36  -0.01  -0.11     0.03  -0.09   0.04     0.64  -0.01   0.16
    25   1     0.03  -0.06  -0.02     0.13  -0.15  -0.05    -0.00   0.09   0.01
    26   1    -0.01  -0.16   0.06    -0.05  -0.44   0.16     0.00   0.16  -0.06
    27   1     0.01  -0.04   0.06     0.06  -0.06   0.18     0.02   0.06  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.6756              1298.8084              1348.3133
 Red. masses --      1.6230                 1.7456                 1.3538
 Frc consts  --      1.6053                 1.7349                 1.4501
 IR Inten    --      1.9368                 0.8701                 0.1408
 RamAct Fr= 1--     22.7498                 7.2217                15.5941
  Dep-P Fr= 1--      0.2067                 0.2953                 0.2495
  Dep-U Fr= 1--      0.3425                 0.4560                 0.3993
 Alpha2 Fr= 1--      0.3035                 0.0751                 0.1851
 Beta2  Fr= 1--      1.2988                 0.5488                 1.0379
 AlphaG Fr= 1--     -0.1036                 0.0642                -0.1082
 Gamma2 Fr= 1--     -2.4814                -4.2202                 2.3207
 Delta2 Fr= 1--      0.0192                -1.2684                 0.5381
 Raman1 Fr= 1--      90.999                 28.887                 62.376
 ROA1   Fr= 1--    -237.600               -445.730                240.003
 CID1   Fr= 1--      -2.611                -15.430                  3.848
 Raman2 Fr= 1--      15.585                  6.586                 12.455
 ROA2   Fr= 1--     -59.707                -91.138                 51.391
 CID2   Fr= 1--      -3.831                -13.839                  4.126
 Raman3 Fr= 1--      31.171                 13.171                 24.909
 ROA3   Fr= 1--    -237.600               -445.730                240.003
 CID3   Fr= 1--      -7.623                -33.841                  9.635
 RC180  Fr= 1--      -0.315                 -0.088                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01     0.03   0.00   0.04     0.01   0.00   0.01
     2   6     0.03   0.13   0.03    -0.13  -0.04  -0.13    -0.03  -0.00  -0.03
     3   6     0.05  -0.00   0.02     0.04  -0.05   0.04     0.04  -0.03   0.02
     4   6    -0.04   0.04  -0.01    -0.03   0.06  -0.04    -0.03  -0.08   0.03
     5   6    -0.03  -0.01  -0.01    -0.07  -0.04   0.00    -0.03   0.12  -0.05
     6   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.01  -0.02   0.00
     7   8     0.02  -0.01   0.01     0.01  -0.02   0.01     0.01   0.00   0.00
     8   6    -0.01  -0.05   0.00     0.03   0.02   0.03     0.00   0.00   0.01
     9   6     0.00  -0.12  -0.00     0.00   0.03   0.03     0.00  -0.00   0.00
    10   6     0.02   0.03  -0.09     0.03   0.02  -0.02     0.00   0.01  -0.02
    11   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.02   0.01
    12   1    -0.09   0.25   0.14    -0.05   0.14  -0.02    -0.02   0.05  -0.00
    13   1    -0.13   0.46   0.11     0.14  -0.51  -0.09     0.02  -0.05  -0.01
    14   1    -0.16  -0.18   0.04    -0.04   0.29   0.12    -0.14  -0.01   0.08
    15   1    -0.15  -0.05   0.27     0.00   0.00   0.03     0.01   0.03  -0.01
    16   1    -0.19  -0.17   0.29    -0.17  -0.02   0.24    -0.05  -0.06   0.10
    17   1    -0.04  -0.06  -0.06    -0.08   0.02   0.02    -0.01  -0.00  -0.00
    18   1     0.02   0.00  -0.03     0.05   0.17   0.08     0.01   0.03   0.02
    19   1    -0.04  -0.01  -0.05    -0.01   0.12  -0.04    -0.01   0.01  -0.01
    20   1     0.02   0.13  -0.03     0.01  -0.06   0.03    -0.00  -0.01   0.00
    21   1    -0.11   0.07  -0.10     0.16  -0.06   0.06     0.03  -0.01   0.01
    22   1     0.05   0.03   0.10     0.07  -0.05  -0.04     0.03  -0.01  -0.00
    23   1     0.08   0.01  -0.01     0.07   0.06   0.01     0.81  -0.19   0.28
    24   1     0.45  -0.04   0.14     0.52  -0.09   0.17    -0.27   0.14  -0.13
    25   1     0.02   0.03  -0.00     0.04  -0.01  -0.01     0.04   0.08   0.01
    26   1    -0.01   0.03  -0.01    -0.01  -0.06   0.02    -0.02   0.11  -0.05
    27   1     0.02   0.03  -0.01     0.03   0.00   0.03     0.05   0.06  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.8225              1389.3007              1405.2518
 Red. masses --      1.5938                 1.3595                 1.2870
 Frc consts  --      1.7671                 1.5460                 1.4974
 IR Inten    --      1.3943                44.5455                 9.7517
 RamAct Fr= 1--     23.4802                 1.1955                 2.5472
  Dep-P Fr= 1--      0.2948                 0.7463                 0.5139
  Dep-U Fr= 1--      0.4554                 0.8547                 0.6789
 Alpha2 Fr= 1--      0.2446                 0.0001                 0.0118
 Beta2  Fr= 1--      1.7821                 0.1703                 0.2882
 AlphaG Fr= 1--      0.1900                 0.0003                 0.0124
 Gamma2 Fr= 1--      0.7499                 0.4588                -0.0787
 Delta2 Fr= 1--     -0.1889                -0.0690                -0.1007
 Raman1 Fr= 1--      93.921                  4.782                 10.189
 ROA1   Fr= 1--      65.944                 41.838                -10.781
 CID1   Fr= 1--       0.702                  8.749                 -1.058
 Raman2 Fr= 1--      21.385                  2.044                  3.459
 ROA2   Fr= 1--      19.508                 11.563                 -1.085
 CID2   Fr= 1--       0.912                  5.658                 -0.314
 Raman3 Fr= 1--      42.771                  4.087                  6.917
 ROA3   Fr= 1--      65.944                 41.838                -10.781
 CID3   Fr= 1--       1.542                 10.236                 -1.559
 RC180  Fr= 1--      -0.089                  0.709                  0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.04  -0.08  -0.06
     2   6     0.04   0.03   0.04     0.00  -0.00   0.00     0.03   0.02   0.03
     3   6    -0.15  -0.13   0.01    -0.00   0.00  -0.00    -0.02  -0.02  -0.00
     4   6     0.03   0.04  -0.04     0.01   0.01  -0.00     0.00   0.01  -0.00
     5   6    -0.04  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.00  -0.00
     6   6     0.02   0.02   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.09   0.02  -0.05
     9   6     0.00  -0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   6     0.03   0.03   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    11   6    -0.01  -0.00  -0.00    -0.04  -0.15   0.04    -0.00  -0.00   0.00
    12   1    -0.01   0.05  -0.01     0.00  -0.00   0.00     0.01  -0.02   0.02
    13   1    -0.00   0.13  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.00
    14   1     0.64   0.48  -0.09     0.02   0.01  -0.01     0.09   0.04  -0.02
    15   1    -0.07  -0.04   0.13    -0.00  -0.01  -0.01    -0.02  -0.03  -0.00
    16   1     0.06   0.18  -0.13     0.02  -0.00  -0.01     0.02   0.00  -0.01
    17   1     0.01  -0.05  -0.07    -0.00   0.00  -0.00     0.10   0.19   0.34
    18   1    -0.00  -0.10  -0.06     0.00  -0.01  -0.01    -0.04   0.36   0.16
    19   1    -0.04  -0.07  -0.01    -0.01  -0.00  -0.01     0.27   0.30   0.13
    20   1    -0.01   0.04  -0.04    -0.00   0.00  -0.00     0.25  -0.04   0.31
    21   1    -0.08   0.05  -0.03    -0.01   0.00  -0.00     0.30  -0.22   0.09
    22   1    -0.10   0.02   0.00    -0.01   0.00  -0.00     0.38   0.05   0.10
    23   1     0.34   0.03   0.11    -0.13   0.03  -0.04     0.04   0.00   0.01
    24   1     0.13  -0.02   0.03    -0.06  -0.03  -0.00     0.02  -0.00   0.00
    25   1     0.03  -0.02  -0.01     0.15   0.57   0.09     0.01   0.00  -0.00
    26   1    -0.01   0.00   0.00    -0.08   0.44  -0.19    -0.00   0.01  -0.00
    27   1     0.02  -0.01   0.04     0.27   0.40  -0.34     0.01   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.7852              1471.4746              1480.2533
 Red. masses --      1.2293                 1.0565                 1.0472
 Frc consts  --      1.4641                 1.3478                 1.3519
 IR Inten    --      3.1354                 9.9414                 9.7098
 RamAct Fr= 1--      0.7803                 4.9710                 5.2314
  Dep-P Fr= 1--      0.7090                 0.7407                 0.7495
  Dep-U Fr= 1--      0.8298                 0.8510                 0.8568
 Alpha2 Fr= 1--      0.0006                 0.0008                 0.0000
 Beta2  Fr= 1--      0.1079                 0.7051                 0.7471
 AlphaG Fr= 1--     -0.0041                -0.0040                -0.0018
 Gamma2 Fr= 1--     -0.0034                 0.9393                 1.0594
 Delta2 Fr= 1--     -0.1024                 0.4669                 1.1461
 Raman1 Fr= 1--       3.121                 19.884                 20.926
 ROA1   Fr= 1--      -3.599                105.115                138.375
 CID1   Fr= 1--      -1.153                  5.286                  6.613
 Raman2 Fr= 1--       1.295                  8.461                  8.965
 ROA2   Fr= 1--       0.738                 18.809                 16.256
 CID2   Fr= 1--       0.570                  2.223                  1.813
 Raman3 Fr= 1--       2.590                 16.921                 17.929
 ROA3   Fr= 1--      -3.599                105.115                138.375
 CID3   Fr= 1--      -1.390                  6.212                  7.718
 RC180  Fr= 1--       0.660                  0.702                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00  -0.01  -0.02
     7   8    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.09   0.03  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.01     0.02  -0.02  -0.05
    12   1     0.01   0.03   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.05   0.02   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    17   1    -0.05  -0.19  -0.34     0.02  -0.00   0.00     0.04   0.00   0.02
    18   1     0.03  -0.34  -0.16     0.01   0.02  -0.01     0.03   0.03  -0.04
    19   1    -0.24  -0.32  -0.09    -0.00  -0.01  -0.00    -0.03  -0.01  -0.02
    20   1     0.24  -0.11   0.33    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    21   1     0.31  -0.23   0.10    -0.01  -0.00   0.01    -0.02  -0.02   0.03
    22   1     0.42   0.01   0.05    -0.00   0.00   0.01     0.01   0.02   0.02
    23   1    -0.01   0.01  -0.00    -0.05   0.00  -0.01     0.00  -0.00  -0.01
    24   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.51  -0.33  -0.14    -0.46  -0.18   0.02
    26   1    -0.00   0.00  -0.00    -0.07   0.40  -0.15    -0.17   0.24   0.66
    27   1     0.00  -0.00   0.00     0.36  -0.06   0.53     0.40   0.23   0.07
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1484.0101              1487.3344              1493.6611
 Red. masses --      1.0685                 1.0465                 1.0646
 Frc consts  --      1.3865                 1.3640                 1.3994
 IR Inten    --      0.5633                 0.8839                 8.2058
 RamAct Fr= 1--      4.4413                10.5242                 4.9898
  Dep-P Fr= 1--      0.7149                 0.7329                 0.6373
  Dep-U Fr= 1--      0.8338                 0.8459                 0.7785
 Alpha2 Fr= 1--      0.0027                 0.0031                 0.0102
 Beta2  Fr= 1--      0.6172                 1.4837                 0.6474
 AlphaG Fr= 1--      0.0100                 0.0049                 0.0170
 Gamma2 Fr= 1--     -1.8931                -0.9624                 1.2093
 Delta2 Fr= 1--     -1.9525                -0.0991                 0.1216
 Raman1 Fr= 1--      17.765                 42.097                 19.959
 ROA1   Fr= 1--    -244.215                -95.561                119.987
 CID1   Fr= 1--     -13.747                 -2.270                  6.012
 Raman2 Fr= 1--       7.406                 17.805                  7.769
 ROA2   Fr= 1--     -29.813                -22.305                 28.051
 CID2   Fr= 1--      -4.026                 -1.253                  3.611
 Raman3 Fr= 1--      14.812                 35.610                 15.538
 ROA3   Fr= 1--    -244.215                -95.561                119.987
 CID3   Fr= 1--     -16.488                 -2.684                  7.722
 RC180  Fr= 1--       0.668                  0.692                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.01    -0.02  -0.01   0.03    -0.02   0.02  -0.01
     2   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.01   0.03  -0.00     0.02   0.00  -0.04     0.01  -0.03  -0.01
     9   6     0.01   0.01  -0.05    -0.00  -0.00   0.01     0.02   0.01  -0.04
    10   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.02  -0.01
    11   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    12   1     0.15  -0.06   0.41    -0.03   0.01  -0.08     0.12  -0.02   0.33
    13   1    -0.35  -0.14   0.23     0.07   0.03  -0.05    -0.29  -0.15   0.20
    14   1     0.01   0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.01
    15   1     0.13   0.18   0.16    -0.04  -0.06  -0.06     0.11   0.15   0.13
    16   1    -0.16   0.23  -0.01     0.05  -0.08   0.01    -0.13   0.19  -0.01
    17   1    -0.18   0.12   0.16     0.33   0.01   0.12     0.27  -0.15  -0.18
    18   1     0.06  -0.11  -0.14     0.22   0.21  -0.34    -0.06   0.20   0.17
    19   1    -0.11   0.25  -0.19    -0.21  -0.06  -0.16     0.15  -0.30   0.25
    20   1    -0.11  -0.33   0.00    -0.20  -0.10  -0.21     0.01   0.29  -0.11
    21   1    -0.22   0.04   0.10    -0.20  -0.22   0.43     0.13  -0.12   0.08
    22   1     0.19  -0.09  -0.10     0.11   0.26   0.32    -0.15   0.19   0.22
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.00
    24   1    -0.02   0.00  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    25   1     0.01   0.00  -0.00     0.03   0.03   0.00    -0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.02  -0.04  -0.06     0.00  -0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.05  -0.02  -0.02    -0.00   0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1503.3571              1506.6202              1510.6513
 Red. masses --      1.0809                 1.0728                 1.0683
 Frc consts  --      1.4394                 1.4347                 1.4364
 IR Inten    --      1.0366                12.3763                 6.4405
 RamAct Fr= 1--     12.0803                 5.4540                 0.7721
  Dep-P Fr= 1--      0.7352                 0.7455                 0.2538
  Dep-U Fr= 1--      0.8474                 0.8542                 0.4049
 Alpha2 Fr= 1--      0.0030                 0.0004                 0.0091
 Beta2  Fr= 1--      1.7062                 0.7765                 0.0521
 AlphaG Fr= 1--      0.0021                -0.0037                 0.0097
 Gamma2 Fr= 1--      3.0926                 0.9442                -0.3435
 Delta2 Fr= 1--     -0.1777                 1.3094                 0.1717
 Raman1 Fr= 1--      48.321                 21.816                  3.088
 ROA1   Fr= 1--     291.206                132.545                -27.481
 CID1   Fr= 1--       6.026                  6.076                 -8.898
 Raman2 Fr= 1--      20.474                  9.317                  0.625
 ROA2   Fr= 1--      75.644                 12.186                 -9.618
 CID2   Fr= 1--       3.695                  1.308                -15.384
 Raman3 Fr= 1--      40.948                 18.635                  1.250
 ROA3   Fr= 1--     291.206                132.545                -27.481
 CID3   Fr= 1--       7.112                  7.113                -21.977
 RC180  Fr= 1--       0.695                  0.708                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.02    -0.02  -0.01   0.02
     2   6    -0.02   0.04   0.01    -0.00  -0.02   0.02    -0.02  -0.01   0.02
     3   6     0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.02   0.01    -0.02  -0.02  -0.00    -0.01  -0.00   0.03
     9   6    -0.01  -0.02   0.03    -0.01  -0.01   0.02     0.01   0.02  -0.03
    10   6     0.01  -0.04  -0.01     0.00  -0.05  -0.01    -0.00   0.03   0.01
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.09   0.04  -0.19    -0.07   0.02  -0.18     0.09  -0.02   0.22
    13   1     0.17   0.08  -0.11     0.15   0.06  -0.11    -0.19  -0.09   0.12
    14   1    -0.02   0.00  -0.00    -0.03  -0.02  -0.01     0.02  -0.00  -0.00
    15   1     0.16   0.20   0.17     0.22   0.28   0.23    -0.12  -0.16  -0.15
    16   1    -0.18   0.26  -0.01    -0.24   0.35  -0.01     0.15  -0.21   0.01
    17   1     0.36  -0.13  -0.10    -0.01   0.10   0.16     0.36   0.02   0.13
    18   1     0.04   0.27   0.01     0.15  -0.04  -0.28     0.22   0.25  -0.32
    19   1     0.03  -0.29   0.13    -0.21   0.14  -0.24    -0.20  -0.09  -0.14
    20   1    -0.01  -0.36   0.13     0.15   0.35   0.04     0.15   0.10   0.14
    21   1    -0.19   0.16  -0.09     0.29  -0.05  -0.14     0.15   0.17  -0.33
    22   1     0.20  -0.23  -0.26    -0.20   0.07   0.07    -0.14  -0.19  -0.24
    23   1    -0.02   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    24   1    -0.04   0.00  -0.00    -0.05   0.00  -0.01     0.03  -0.00   0.01
    25   1     0.00   0.01   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01  -0.01
    27   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.02  -0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.6931              1736.4569              3019.2955
 Red. masses --      5.8040                 9.8639                 1.0356
 Frc consts  --      9.8327                17.5237                 5.5625
 IR Inten    --     71.1314               276.3027                21.2172
 RamAct Fr= 1--    369.8205               213.9208                 5.9492
  Dep-P Fr= 1--      0.2812                 0.3170                 0.3517
  Dep-U Fr= 1--      0.4390                 0.4814                 0.5204
 Alpha2 Fr= 1--      4.0091                 2.0837                 0.0519
 Beta2  Fr= 1--     27.0584                17.1647                 0.5160
 AlphaG Fr= 1--      1.6147                 0.0873                 0.0708
 Gamma2 Fr= 1--     10.4593                -1.6598                -1.2627
 Delta2 Fr= 1--     -0.0108                 0.8626                -1.0393
 Raman1 Fr= 1--    1479.282                855.683                 23.797
 ROA1   Fr= 1--    1003.746               -131.737               -154.481
 CID1   Fr= 1--       0.679                 -0.154                 -6.492
 Raman2 Fr= 1--     324.701                205.976                  6.192
 ROA2   Fr= 1--     251.110                -46.736                -21.992
 CID2   Fr= 1--       0.773                 -0.227                 -3.552
 Raman3 Fr= 1--     649.402                411.953                 12.383
 ROA3   Fr= 1--    1003.746               -131.737               -154.481
 CID3   Fr= 1--       1.546                 -0.320                -12.475
 RC180  Fr= 1--      -0.122                 -0.037                  0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
     2   6    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.40  -0.17   0.18    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     5   6    -0.38   0.17  -0.17    -0.06   0.04  -0.03     0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.48  -0.43   0.30    -0.00   0.00  -0.00
     7   8     0.05  -0.02   0.02    -0.31   0.28  -0.19     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    12   1    -0.01   0.01  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.00
    13   1     0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1    -0.19  -0.03   0.01     0.00   0.01   0.00     0.03  -0.02   0.11
    15   1    -0.01  -0.03   0.02    -0.02  -0.02  -0.01    -0.00   0.00  -0.00
    16   1     0.01   0.06  -0.04     0.01  -0.02  -0.00     0.00   0.00   0.00
    17   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.05  -0.33   0.24
    18   1     0.01   0.00  -0.01    -0.00   0.00   0.01    -0.23   0.06  -0.12
    19   1    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.25  -0.07  -0.26
    20   1     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.32   0.11   0.32
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.12  -0.31  -0.21
    22   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.07   0.38  -0.30
    23   1    -0.52  -0.12  -0.10    -0.01  -0.01  -0.00     0.00   0.01  -0.00
    24   1     0.43   0.16   0.05     0.29  -0.01   0.08     0.00  -0.00   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.02     0.00  -0.00   0.00
    26   1    -0.01  -0.01   0.00     0.02  -0.28   0.11    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.12  -0.17     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3023.1097              3027.0216              3040.6336
 Red. masses --      1.0489                 1.0694                 1.0372
 Frc consts  --      5.6477                 5.7734                 5.6499
 IR Inten    --     22.2480                38.9926                 3.3599
 RamAct Fr= 1--    142.1206               287.7161               137.5819
  Dep-P Fr= 1--      0.1238                 0.0510                 0.0076
  Dep-U Fr= 1--      0.2203                 0.0970                 0.0151
 Alpha2 Fr= 1--      2.3466                 5.6701                 3.0035
 Beta2  Fr= 1--      5.2176                 4.6519                 0.3464
 AlphaG Fr= 1--      0.6881                -3.2479                 0.7355
 Gamma2 Fr= 1--     10.7863                -9.9504                -0.0458
 Delta2 Fr= 1--      7.8064               -19.1324                -1.7877
 Raman1 Fr= 1--     568.482               1150.865                550.328
 ROA1   Fr= 1--    1285.289              -1567.470                -61.602
 CID1   Fr= 1--       2.261                 -1.362                 -0.112
 Raman2 Fr= 1--      62.612                 55.822                  4.157
 ROA2   Fr= 1--     196.420                -85.750                 13.203
 CID2   Fr= 1--       3.137                 -1.536                  3.176
 Raman3 Fr= 1--     125.223                111.645                  8.314
 ROA3   Fr= 1--    1285.289              -1567.470                -61.602
 CID3   Fr= 1--      10.264                -14.040                 -7.409
 RC180  Fr= 1--      -0.559                 -0.806                 -0.970
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01     0.00   0.02   0.01     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.04    -0.02   0.01  -0.07     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.02
    12   1     0.04   0.01  -0.01    -0.06  -0.02   0.01     0.00   0.00  -0.00
    13   1    -0.02  -0.00  -0.02     0.04   0.00   0.05    -0.00   0.00  -0.00
    14   1     0.14  -0.09   0.49     0.22  -0.14   0.78    -0.01   0.00  -0.02
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    16   1    -0.02  -0.01  -0.02    -0.06  -0.04  -0.06     0.00   0.00   0.00
    17   1     0.06   0.38  -0.27    -0.03  -0.19   0.14     0.00   0.00  -0.00
    18   1     0.27  -0.07   0.14    -0.14   0.04  -0.07     0.00  -0.00   0.00
    19   1    -0.29   0.08   0.29     0.14  -0.04  -0.15    -0.00   0.00   0.00
    20   1    -0.19   0.06   0.19     0.18  -0.06  -0.18    -0.00   0.00   0.00
    21   1    -0.08  -0.21  -0.14     0.06   0.16   0.11    -0.00  -0.00  -0.00
    22   1     0.04   0.23  -0.18    -0.03  -0.19   0.15     0.00   0.00  -0.00
    23   1     0.00   0.02  -0.00     0.01   0.05  -0.01     0.01   0.02  -0.01
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.10  -0.07   0.63
    26   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.38  -0.05  -0.08
    27   1     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.37  -0.44  -0.33
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3054.5170              3075.2246              3077.2020
 Red. masses --      1.0577                 1.1006                 1.0653
 Frc consts  --      5.8145                 6.1326                 5.9436
 IR Inten    --     33.7667                 5.6275                16.4610
 RamAct Fr= 1--    164.0576                22.3790               143.8064
  Dep-P Fr= 1--      0.0842                 0.7490                 0.0580
  Dep-U Fr= 1--      0.1553                 0.8565                 0.1097
 Alpha2 Fr= 1--      2.9854                 0.0004                 2.7867
 Beta2  Fr= 1--      4.2450                 3.1945                 2.6292
 AlphaG Fr= 1--     -0.7851                -0.0141                 1.4205
 Gamma2 Fr= 1--      0.3263                -2.1877               -11.5580
 Delta2 Fr= 1--     -4.2023                -3.5394                -8.3961
 Raman1 Fr= 1--     656.230                 89.516                575.226
 ROA1   Fr= 1--    -103.144               -323.281              -1378.245
 CID1   Fr= 1--      -0.157                 -3.611                 -2.396
 Raman2 Fr= 1--      50.940                 38.334                 31.550
 ROA2   Fr= 1--      41.451                -24.191               -210.223
 CID2   Fr= 1--       0.814                 -0.631                 -6.663
 Raman3 Fr= 1--     101.881                 76.668                 63.101
 ROA3   Fr= 1--    -103.144               -323.281              -1378.245
 CID3   Fr= 1--      -1.012                 -4.217                -21.842
 RC180  Fr= 1--      -0.689                  0.713                 -0.781
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.03   0.07    -0.01  -0.00   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.02   0.01  -0.03     0.00   0.02   0.00
     9   6    -0.02  -0.02   0.06    -0.01  -0.00  -0.00     0.01   0.00   0.01
    10   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.01  -0.06  -0.03
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.65   0.22  -0.17     0.05   0.02  -0.01    -0.07  -0.03   0.02
    13   1    -0.42   0.00  -0.54     0.03   0.00   0.05    -0.11   0.00  -0.15
    14   1     0.01  -0.01   0.05     0.00   0.00   0.00     0.02  -0.02   0.08
    15   1     0.06  -0.05   0.02     0.05  -0.04   0.01    -0.38   0.31  -0.11
    16   1    -0.03  -0.02  -0.03    -0.08  -0.05  -0.07     0.55   0.33   0.48
    17   1    -0.01  -0.05   0.03     0.07   0.49  -0.33     0.01   0.07  -0.05
    18   1    -0.01   0.00  -0.01    -0.04   0.00   0.00    -0.01   0.00  -0.00
    19   1     0.02  -0.01  -0.02     0.44  -0.15  -0.44     0.08  -0.03  -0.08
    20   1     0.02  -0.01  -0.02    -0.22   0.08   0.22     0.04  -0.01  -0.03
    21   1     0.01   0.03   0.02     0.00   0.00  -0.01    -0.04  -0.10  -0.07
    22   1    -0.01  -0.04   0.03    -0.04  -0.24   0.19    -0.01  -0.08   0.07
    23   1     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.1453              3088.6110              3096.4145
 Red. masses --      1.1011                 1.1004                 1.0993
 Frc consts  --      6.1626                 6.1848                 6.2098
 IR Inten    --     48.5628                33.2501                 8.0798
 RamAct Fr= 1--    135.9325                75.3101                36.9889
  Dep-P Fr= 1--      0.7192                 0.7198                 0.7469
  Dep-U Fr= 1--      0.8367                 0.8370                 0.8551
 Alpha2 Fr= 1--      0.0721                 0.0392                 0.0019
 Beta2  Fr= 1--     18.9554                10.5064                 5.2717
 AlphaG Fr= 1--      0.2069                 0.0222                 0.0422
 Gamma2 Fr= 1--     -0.6315                 7.5362                 3.6286
 Delta2 Fr= 1--     10.0454                -1.3474                 3.5156
 Raman1 Fr= 1--     543.730                301.240                147.956
 ROA1   Fr= 1--     260.829                680.353                460.840
 CID1   Fr= 1--       0.480                  2.259                  3.115
 Raman2 Fr= 1--     227.464                126.076                 63.260
 ROA2   Fr= 1--     -95.519                191.647                 58.961
 CID2   Fr= 1--      -0.420                  1.520                  0.932
 Raman3 Fr= 1--     454.929                252.153                126.520
 ROA3   Fr= 1--     260.829                680.353                460.840
 CID3   Fr= 1--       0.573                  2.698                  3.642
 RC180  Fr= 1--       0.673                  0.674                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.04  -0.03   0.06    -0.00  -0.08  -0.05     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.03  -0.08
    12   1    -0.02  -0.00   0.00    -0.08  -0.03   0.02    -0.02  -0.01   0.00
    13   1    -0.03   0.00  -0.04    -0.06   0.00  -0.08    -0.01   0.00  -0.01
    14   1    -0.00   0.00  -0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    15   1     0.02  -0.01   0.00    -0.08   0.06  -0.02     0.01  -0.01   0.00
    16   1    -0.01  -0.01  -0.01     0.08   0.05   0.07    -0.00  -0.00  -0.00
    17   1     0.03   0.25  -0.17    -0.00  -0.03   0.02    -0.00  -0.01   0.00
    18   1    -0.02  -0.00   0.00     0.07  -0.02   0.04     0.03  -0.01   0.01
    19   1     0.23  -0.08  -0.23     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    20   1     0.42  -0.15  -0.40    -0.30   0.08   0.28    -0.00   0.00   0.00
    21   1     0.02   0.07   0.06     0.27   0.65   0.44    -0.00  -0.00  -0.00
    22   1     0.07   0.51  -0.39     0.04   0.20  -0.18    -0.00  -0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.13  -0.09   0.69
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.47   0.32
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.9929              3100.1401              3123.9129
 Red. masses --      1.1026                 1.1027                 1.1064
 Frc consts  --      6.2308                 6.2441                 6.3612
 IR Inten    --     18.7827                34.3250                33.5559
 RamAct Fr= 1--     50.2877                74.4110                52.0970
  Dep-P Fr= 1--      0.4667                 0.6505                 0.7370
  Dep-U Fr= 1--      0.6364                 0.7882                 0.8486
 Alpha2 Fr= 1--      0.2878                 0.1330                 0.0116
 Beta2  Fr= 1--      5.3338                 9.7753                 7.3680
 AlphaG Fr= 1--      0.4154                 0.1310                -0.0500
 Gamma2 Fr= 1--    -61.9764                58.9864                19.6801
 Delta2 Fr= 1--    -34.2182                36.3353                 9.0843
 Raman1 Fr= 1--     201.151                297.644                208.388
 ROA1   Fr= 1--   -7044.720               6825.419               2179.990
 CID1   Fr= 1--     -35.022                 22.931                 10.461
 Raman2 Fr= 1--      64.006                117.303                 88.416
 ROA2   Fr= 1--   -1213.688               1124.991                399.649
 CID2   Fr= 1--     -18.962                  9.590                  4.520
 Raman3 Fr= 1--     128.012                234.607                176.832
 ROA3   Fr= 1--   -7044.720               6825.419               2179.990
 CID3   Fr= 1--     -55.032                 29.093                 12.328
 RC180  Fr= 1--       0.273                  0.576                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03  -0.02    -0.05   0.03  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.01   0.02    -0.06  -0.01  -0.02    -0.03  -0.00  -0.01
    10   6    -0.01   0.01  -0.00     0.02  -0.02   0.01    -0.08   0.02  -0.04
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.41  -0.14   0.12     0.43   0.15  -0.13     0.18   0.06  -0.05
    13   1    -0.25   0.01  -0.34     0.28  -0.01   0.38     0.15  -0.00   0.21
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.04
    15   1     0.18  -0.16   0.05    -0.22   0.20  -0.06     0.55  -0.49   0.15
    16   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.36   0.25   0.33
    17   1    -0.04  -0.17   0.12    -0.04  -0.17   0.12    -0.00  -0.01   0.01
    18   1     0.57  -0.13   0.30     0.53  -0.12   0.28     0.03  -0.01   0.02
    19   1     0.16  -0.05  -0.18     0.13  -0.04  -0.15     0.00  -0.00  -0.01
    20   1     0.01  -0.00  -0.01     0.03  -0.01  -0.03    -0.01   0.00   0.01
    21   1    -0.04  -0.09  -0.06     0.00   0.01   0.01     0.02   0.04   0.03
    22   1    -0.01  -0.05   0.04     0.00   0.02  -0.02     0.00   0.01  -0.01
    23   1    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.02   0.01
    24   1     0.00   0.02  -0.01    -0.00  -0.02   0.01     0.01   0.07  -0.02
    25   1    -0.00   0.00  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.1454              3146.2521              3179.7836
 Red. masses --      1.0877                 1.1008                 1.0881
 Frc consts  --      6.3153                 6.4203                 6.4823
 IR Inten    --     10.8260                 9.9266                 6.5280
 RamAct Fr= 1--     75.7111                82.3521                44.6823
  Dep-P Fr= 1--      0.1751                 0.6185                 0.2023
  Dep-U Fr= 1--      0.2980                 0.7643                 0.3365
 Alpha2 Fr= 1--      1.0976                 0.1982                 0.6031
 Beta2  Fr= 1--      3.7602                10.4904                 2.5061
 AlphaG Fr= 1--      0.3575                -0.1504                -0.1394
 Gamma2 Fr= 1--      1.9618                -0.2417                -2.8103
 Delta2 Fr= 1--      3.5066                -2.9710                -0.1513
 Raman1 Fr= 1--     302.844                329.408                178.729
 ROA1   Fr= 1--     300.546               -118.270               -274.634
 CID1   Fr= 1--       0.992                 -0.359                 -1.537
 Raman2 Fr= 1--      45.122                125.885                 30.073
 ROA2   Fr= 1--      19.031                 17.968                -66.238
 CID2   Fr= 1--       0.422                  0.143                 -2.203
 Raman3 Fr= 1--      90.244                251.770                 60.146
 ROA3   Fr= 1--     300.546               -118.270               -274.634
 CID3   Fr= 1--       3.330                 -0.470                 -4.566
 RC180  Fr= 1--      -0.404                  0.529                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.03
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.00  -0.03     0.00   0.00   0.00
    12   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.01  -0.05     0.00  -0.00   0.01     0.00  -0.00   0.00
    15   1     0.03  -0.02   0.01    -0.01   0.00  -0.00    -0.06   0.05  -0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    17   1     0.00   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.19   0.91  -0.29    -0.03  -0.15   0.05     0.02   0.08  -0.03
    24   1    -0.01  -0.07   0.02     0.00   0.03  -0.01     0.15   0.93  -0.31
    25   1     0.00  -0.00   0.03     0.03  -0.03   0.27    -0.00   0.00  -0.00
    26   1     0.16   0.03   0.03     0.88   0.14   0.18    -0.01  -0.00  -0.00
    27   1     0.01  -0.02  -0.01     0.13  -0.18  -0.13    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   811.577443283.795113606.96683
           X            0.99989   0.01392  -0.00590
           Y           -0.01391   0.99990   0.00197
           Z            0.00593  -0.00189   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10672     0.02638     0.02401
 Rotational constants (GHZ):           2.22374     0.54959     0.50035
 Zero-point vibrational energy     622607.3 (Joules/Mol)
                                  148.80672 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.50    92.26   111.56   184.49   212.87
          (Kelvin)            243.53   341.07   365.48   387.46   398.78
                              442.94   499.16   536.85   637.28   676.21
                              762.38   821.69   852.60   924.94  1056.71
                             1157.59  1177.97  1236.32  1284.00  1307.99
                             1355.32  1376.61  1412.18  1423.26  1452.51
                             1475.04  1483.11  1512.56  1585.02  1592.92
                             1676.27  1727.86  1765.37  1789.99  1826.86
                             1838.72  1850.49  1864.19  1868.70  1939.92
                             1973.75  1998.89  2021.84  2045.63  2117.12
                             2129.75  2135.16  2139.94  2149.05  2163.00
                             2167.69  2173.49  2439.72  2498.37  4344.09
                             4349.58  4355.21  4374.79  4394.77  4424.56
                             4427.41  4434.52  4443.82  4455.05  4455.88
                             4460.41  4494.61  4516.53  4526.75  4575.00
 
 Zero-point correction=                           0.237139 (Hartree/Particle)
 Thermal correction to Energy=                    0.249545
 Thermal correction to Enthalpy=                  0.250490
 Thermal correction to Gibbs Free Energy=         0.198297
 Sum of electronic and zero-point Energies=           -465.872506
 Sum of electronic and thermal Energies=              -465.860099
 Sum of electronic and thermal Enthalpies=            -465.859155
 Sum of electronic and thermal Free Energies=         -465.911347
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.592             46.304            109.848
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.642
 Vibrational            154.815             40.342             38.238
 Vibration     1          0.594              1.983              5.558
 Vibration     2          0.597              1.971              4.326
 Vibration     3          0.599              1.964              3.952
 Vibration     4          0.611              1.925              2.972
 Vibration     5          0.617              1.905              2.698
 Vibration     6          0.625              1.880              2.444
 Vibration     7          0.656              1.784              1.825
 Vibration     8          0.665              1.756              1.702
 Vibration     9          0.674              1.730              1.601
 Vibration    10          0.678              1.716              1.551
 Vibration    11          0.698              1.659              1.374
 Vibration    12          0.725              1.582              1.180
 Vibration    13          0.745              1.527              1.067
 Vibration    14          0.803              1.376              0.817
 Vibration    15          0.827              1.317              0.738
 Vibration    16          0.885              1.184              0.587
 Vibration    17          0.927              1.094              0.502
 Vibration    18          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.616212D-91        -91.210270       -210.019407
 Total V=0       0.734210D+18         17.865820         41.137572
 Vib (Bot)       0.752882-105       -105.123273       -242.055281
 Vib (Bot)    1  0.601671D+01          0.779359          1.794540
 Vib (Bot)    2  0.321890D+01          0.507708          1.169040
 Vib (Bot)    3  0.265710D+01          0.424408          0.977236
 Vib (Bot)    4  0.159060D+01          0.201562          0.464114
 Vib (Bot)    5  0.137132D+01          0.137140          0.315776
 Vib (Bot)    6  0.119093D+01          0.075885          0.174731
 Vib (Bot)    7  0.828255D+00         -0.081836         -0.188435
 Vib (Bot)    8  0.766842D+00         -0.115294         -0.265474
 Vib (Bot)    9  0.717905D+00         -0.143933         -0.331418
 Vib (Bot)   10  0.694701D+00         -0.158202         -0.364273
 Vib (Bot)   11  0.614984D+00         -0.211136         -0.486159
 Vib (Bot)   12  0.532861D+00         -0.273386         -0.629494
 Vib (Bot)   13  0.486879D+00         -0.312579         -0.719740
 Vib (Bot)   14  0.389378D+00         -0.409629         -0.943205
 Vib (Bot)   15  0.358890D+00         -0.445039         -1.024739
 Vib (Bot)   16  0.301855D+00         -0.520202         -1.197809
 Vib (Bot)   17  0.269193D+00         -0.569936         -1.312326
 Vib (Bot)   18  0.253898D+00         -0.595341         -1.370822
 Vib (V=0)       0.897050D+04          3.952817          9.101697
 Vib (V=0)    1  0.653745D+01          0.815408          1.877546
 Vib (V=0)    2  0.375750D+01          0.574899          1.323754
 Vib (V=0)    3  0.320374D+01          0.505657          1.164317
 Vib (V=0)    4  0.216734D+01          0.335927          0.773501
 Vib (V=0)    5  0.195963D+01          0.292175          0.672757
 Vib (V=0)    6  0.179163D+01          0.253248          0.583125
 Vib (V=0)    7  0.146747D+01          0.166570          0.383542
 Vib (V=0)    8  0.141545D+01          0.150894          0.347447
 Vib (V=0)    9  0.137486D+01          0.138260          0.318355
 Vib (V=0)   10  0.135593D+01          0.132236          0.304485
 Vib (V=0)   11  0.129259D+01          0.111462          0.256651
 Vib (V=0)   12  0.123071D+01          0.090157          0.207594
 Vib (V=0)   13  0.119789D+01          0.078417          0.180562
 Vib (V=0)   14  0.113373D+01          0.054510          0.125514
 Vib (V=0)   15  0.111547D+01          0.047457          0.109275
 Vib (V=0)   16  0.108405D+01          0.035050          0.080706
 Vib (V=0)   17  0.106786D+01          0.028514          0.065657
 Vib (V=0)   18  0.106077D+01          0.025622          0.058996
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.110986D+07          6.045270         13.919748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001463   -0.000001274   -0.000001383
      2        6          -0.000002203    0.000003291    0.000008605
      3        6          -0.000001508   -0.000003767   -0.000009967
      4        6          -0.000000082    0.000000268   -0.000002699
      5        6          -0.000001455    0.000000084    0.000004146
      6        6           0.000000556   -0.000001081   -0.000006309
      7        8           0.000001566   -0.000001458   -0.000005002
      8        6           0.000001518   -0.000001582    0.000001446
      9        6           0.000001143   -0.000001528   -0.000002151
     10        6           0.000003553    0.000001693    0.000004543
     11        6          -0.000002702    0.000005116    0.000011505
     12        1          -0.000000364   -0.000001583    0.000001457
     13        1          -0.000000772    0.000000905    0.000000179
     14        1           0.000000525    0.000001726    0.000001307
     15        1           0.000000946   -0.000001239   -0.000002657
     16        1          -0.000000710    0.000001368   -0.000001011
     17        1           0.000000119    0.000000897    0.000001967
     18        1          -0.000000138   -0.000000133    0.000000591
     19        1           0.000000013   -0.000001073    0.000002184
     20        1          -0.000000457   -0.000000111    0.000002309
     21        1          -0.000000789    0.000000614    0.000001416
     22        1           0.000000004    0.000000086    0.000002122
     23        1          -0.000000071    0.000000363   -0.000000093
     24        1          -0.000000617   -0.000000241   -0.000000849
     25        1           0.000001085   -0.000002093   -0.000004450
     26        1          -0.000000300   -0.000000223   -0.000001733
     27        1          -0.000000325    0.000000975   -0.000005472
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011505 RMS     0.000002800
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.162822D+03 -0.630725D+01  0.726852D+01
      2  -0.630725D+01  0.117784D+03 -0.407650D+01
      3   0.726852D+01 -0.407650D+01  0.102486D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.424646D+01 -0.394189D+01 -0.855589D+01
      2   0.434287D+02 -0.161807D+02 -0.292903D+02
      3   0.414353D+00  0.214859D+02  0.129658D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.447510D+02 -0.182017D+02  0.409759D+02
      2  -0.102821D+02  0.190742D+02 -0.139430D+02
      3  -0.344690D+02 -0.872541D+00 -0.270328D+02
      4   0.411829D+01 -0.380724D+02 -0.379902D+02
      5   0.333206D+02 -0.374983D+02 -0.762237D+02
      6  -0.162240D+02  0.158155D+01  0.229201D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.150533D+01 -0.385460D+00 -0.459289D+01  0.605083D+00  0.553066D+00
      2  -0.385460D+00  0.462341D+00  0.255852D+01  0.553066D+00 -0.312885D+01
      3  -0.459289D+01  0.255852D+01  0.165850D+01  0.240024D+01  0.313842D+01
                 6             7             8             9            10 
      1   0.240024D+01 -0.568607D+01  0.271708D+01  0.175548D+01 -0.147644D+02
      2   0.313842D+01  0.271708D+01  0.334833D+01 -0.183320D+01  0.270601D+01
      3  -0.897705D+00  0.175548D+01 -0.183320D+01 -0.218364D+01  0.503070D+01
                11            12            13            14            15 
      1   0.270601D+01  0.503070D+01  0.867220D+01 -0.284462D+01 -0.255334D+01
      2  -0.193071D+01 -0.239221D+01 -0.284462D+01  0.417872D+01 -0.318054D+01
      3  -0.239221D+01 -0.106187D+01 -0.255334D+01 -0.318054D+01  0.162752D+01
                16            17            18            19            20 
      1   0.179347D+02 -0.400352D+01 -0.316498D+01  0.324561D+02 -0.462559D+01
      2  -0.400352D+01 -0.277897D+01  0.196522D+01 -0.462559D+01  0.275257D+01
      3  -0.316498D+01  0.196522D+01  0.633868D+00 -0.832334D+00  0.819375D+00
                21            22            23            24            25 
      1  -0.832334D+00 -0.110331D+02  0.400293D+01  0.154439D+01 -0.605837D+01
      2   0.819375D+00  0.400293D+01  0.191134D+01 -0.195887D+01  0.210008D+01
      3   0.221350D+01  0.154439D+01 -0.195887D+01 -0.232057D+01  0.580262D+01
                26            27            28            29            30 
      1   0.210008D+01  0.580262D+01 -0.483483D+02  0.591215D+01 -0.457210D+01
      2  -0.234405D+01 -0.250574D+01  0.591215D+01 -0.254174D+01  0.417576D-01
      3  -0.250574D+01  0.488634D+01 -0.457210D+01  0.417576D-01 -0.266777D+01
                31            32            33            34            35 
      1   0.144061D+02 -0.541573D+01  0.127841D+01 -0.146993D+02  0.335313D+00
      2  -0.541573D+01 -0.177662D+01  0.137037D+01  0.335313D+00  0.148374D+01
      3   0.127841D+01  0.137037D+01  0.118406D+01 -0.662946D+01  0.694462D+00
                36            37            38            39            40 
      1  -0.662946D+01  0.487626D+02 -0.744239D+01  0.757468D+01 -0.100764D+02
      2   0.694462D+00 -0.744239D+01  0.156614D+01 -0.495543D+00  0.405014D+01
      3  -0.521057D+01  0.757468D+01 -0.495543D+00  0.315225D+01 -0.381161D+00
                41            42            43            44            45 
      1   0.405014D+01 -0.381161D+00  0.157739D+02 -0.132913D+01  0.597256D+01
      2   0.200300D+01 -0.197896D+01 -0.132913D+01 -0.195163D+01 -0.828331D+00
      3  -0.197896D+01 -0.148368D+01  0.597256D+01 -0.828331D+00  0.304384D+01
                46            47            48            49            50 
      1  -0.357312D+02  0.701331D+01 -0.811334D+01  0.571663D+01 -0.343198D+01
      2   0.701331D+01 -0.165577D+01  0.214281D+01 -0.343198D+01 -0.125566D+01
      3  -0.811334D+01  0.214281D+01 -0.175764D+01  0.268911D+01  0.253005D-01
                51            52            53            54            55 
      1   0.268911D+01 -0.113025D+02  0.324189D+01 -0.307583D+01  0.282084D+02
      2   0.253005D-01  0.324189D+01  0.223197D+00  0.851881D+00 -0.631768D+01
      3   0.114494D+01 -0.307583D+01  0.851881D+00 -0.138719D+01  0.595250D+01
                56            57            58            59            60 
      1  -0.631768D+01  0.595250D+01 -0.183712D+02  0.672158D+01 -0.403790D+01
      2   0.291159D+01 -0.143551D+01  0.672158D+01 -0.548719D+01  0.221986D+01
      3  -0.143551D+01  0.251278D+01 -0.403790D+01  0.221986D+01 -0.212894D+01
                61            62            63            64            65 
      1   0.124518D+02 -0.228063D+01  0.653737D+01  0.236165D+01 -0.269441D+00
      2  -0.228063D+01  0.130736D+01 -0.271361D+01 -0.269441D+00  0.130541D+01
      3   0.653737D+01 -0.271361D+01  0.462074D+01 -0.428796D+01  0.260554D+01
                66            67            68            69            70 
      1  -0.428796D+01  0.256197D-01  0.223371D+01  0.242160D+01 -0.712889D+01
      2   0.260554D+01  0.223371D+01 -0.114333D+01  0.444919D+01  0.257256D+01
      3   0.915947D+00  0.242160D+01  0.444919D+01 -0.977541D+00  0.263101D+01
                71            72            73            74            75 
      1   0.257256D+01  0.263101D+01  0.554015D+01  0.206252D+01 -0.333113D+01
      2   0.417087D+01 -0.144253D+01  0.206252D+01  0.598427D+00 -0.163371D+01
      3  -0.144253D+01  0.103857D+01 -0.333113D+01 -0.163371D+01 -0.212095D+01
                76            77            78            79            80 
      1   0.332248D+01 -0.442886D-01 -0.197046D+01 -0.406182D+01 -0.103379D+01
      2  -0.442886D-01 -0.483006D+01  0.309911D+01 -0.103379D+01  0.270185D+01
      3  -0.197046D+01  0.309911D+01  0.987796D+00 -0.216517D+01  0.115180D+01
                81            82            83            84            85 
      1  -0.216517D+01  0.198865D+00  0.146813D+01  0.998352D+00  0.891299D+00
      2   0.115180D+01  0.146813D+01 -0.230597D+01  0.263599D+01 -0.255162D+01
      3  -0.124711D+01  0.998352D+00  0.263599D+01  0.258186D+01  0.218229D+01
                86            87            88            89            90 
      1  -0.255162D+01  0.218229D+01  0.335365D+00  0.365334D+01  0.258677D+01
      2   0.108289D+00  0.142860D+01  0.365334D+01  0.159348D+01 -0.786513D+00
      3   0.142860D+01 -0.397710D+00  0.258677D+01 -0.786513D+00 -0.124976D+01
                91            92            93            94            95 
      1  -0.790649D+01 -0.194367D+01 -0.211636D+01  0.499546D+00  0.357572D+01
      2  -0.194367D+01  0.313660D+01 -0.107491D+00  0.357572D+01  0.420522D+00
      3  -0.211636D+01 -0.107491D+00  0.147703D+01 -0.225868D+00 -0.154265D+01
                96            97            98            99           100 
      1  -0.225868D+00 -0.333063D+01 -0.409655D+00  0.497421D+00 -0.840321D+01
      2  -0.154265D+01 -0.409655D+00 -0.168468D+01 -0.201876D+01 -0.279725D+01
      3  -0.135439D+01  0.497421D+00 -0.201876D+01  0.445492D+01  0.342571D+01
               101           102           103           104           105 
      1  -0.279725D+01  0.342571D+01 -0.174936D+01 -0.200306D+01  0.101185D+01
      2  -0.237653D+01  0.128285D+01 -0.200306D+01 -0.151178D+01  0.787429D+00
      3   0.128285D+01 -0.212139D+01  0.101185D+01  0.787429D+00 -0.869985D+00
               106           107           108           109           110 
      1   0.160156D+01  0.980666D+00 -0.177809D+01  0.160731D+01 -0.426551D+00
      2   0.980666D+00  0.484709D+00 -0.107270D+01 -0.426551D+00  0.951805D+00
      3  -0.177809D+01 -0.107270D+01  0.208284D+01  0.165249D+01 -0.127807D+00
               111           112           113           114           115 
      1   0.165249D+01  0.180757D+00  0.289912D+00  0.906589D-01  0.944709D+00
      2  -0.127807D+00  0.289912D+00  0.160645D-01  0.677510D+00 -0.641324D-01
      3   0.291470D+01  0.906589D-01  0.677510D+00 -0.349472D+00  0.139299D+01
               116           117           118           119           120 
      1  -0.641324D-01  0.139299D+01 -0.419359D+01  0.103327D+01 -0.178228D+01
      2   0.113308D+01 -0.979349D+00  0.103327D+01 -0.551239D+00  0.202313D+00
      3  -0.979349D+00  0.631947D+01 -0.178228D+01  0.202313D+00 -0.171145D+01
               121           122           123           124           125 
      1   0.467005D+01 -0.983895D+00  0.368520D+00 -0.288019D+01 -0.485917D-01
      2  -0.983895D+00  0.413887D+00 -0.123172D+01 -0.485917D-01 -0.951114D+00
      3   0.368520D+00 -0.123172D+01  0.141142D+01 -0.313793D+01  0.117557D+01
               126           127           128           129           130 
      1  -0.313793D+01  0.305310D+01 -0.180675D+01 -0.371667D+00 -0.121369D+01
      2   0.117557D+01 -0.180675D+01  0.331585D+01 -0.126166D+00  0.200968D+01
      3  -0.906575D+01 -0.371667D+00 -0.126166D+00  0.416461D+00 -0.161328D+00
               131           132           133           134           135 
      1   0.200968D+01 -0.161328D+00  0.388941D+00 -0.483674D+00  0.802642D-01
      2  -0.565081D+01 -0.204266D+00 -0.483674D+00  0.638921D+00 -0.902259D+00
      3  -0.204266D+00 -0.709756D+00  0.802642D-01 -0.902259D+00  0.290635D+00
               136           137           138           139           140 
      1  -0.379946D+01 -0.244956D+01 -0.174553D+01 -0.155771D+01 -0.179704D+01
      2  -0.244956D+01 -0.235129D+01 -0.157550D+01 -0.179704D+01 -0.352441D+01
      3  -0.174553D+01 -0.157550D+01 -0.211470D+01 -0.114349D+01 -0.196482D+01
               141           142           143           144           145 
      1  -0.114349D+01 -0.210875D+01 -0.177596D+01 -0.192824D+01  0.614379D+00
      2  -0.196482D+01 -0.177596D+01 -0.258815D+01 -0.206118D+01  0.112253D+01
      3  -0.143549D+01 -0.192824D+01 -0.206118D+01 -0.295022D+01  0.102337D-01
               146           147           148           149           150 
      1   0.112253D+01  0.102337D-01  0.855053D+00  0.286035D+00 -0.286317D+00
      2   0.644976D+00 -0.424173D+00  0.286035D+00  0.783404D+01 -0.163607D+01
      3  -0.424173D+00 -0.505363D-01 -0.286317D+00 -0.163607D+01  0.150904D+01
               151           152           153           154           155 
      1  -0.365363D+00 -0.315129D+00 -0.961288D-02  0.592861D+01 -0.275374D+00
      2  -0.315129D+00 -0.362232D+01  0.167708D+01 -0.275374D+00  0.140398D+01
      3  -0.961288D-02  0.167708D+01 -0.147533D+01  0.192115D+01  0.332992D+00
               156           157           158           159           160 
      1   0.192115D+01 -0.125371D+01  0.910459D+00 -0.110695D+00  0.154507D+01
      2   0.332992D+00  0.910459D+00 -0.220963D+00 -0.112895D+00  0.236995D+00
      3   0.186104D+01 -0.110695D+00 -0.112895D+00 -0.392586D+00  0.158910D+01
               161           162           163           164           165 
      1   0.236995D+00  0.158910D+01 -0.421531D+01  0.184403D+01  0.313253D+01
      2   0.144147D+00  0.407108D+00  0.184403D+01 -0.217439D+01 -0.177846D+01
      3   0.407108D+00  0.241190D+01  0.313253D+01 -0.177846D+01 -0.311231D+01
               166           167           168           169           170 
      1   0.631031D+00 -0.133338D+01 -0.984931D+00  0.283093D+01 -0.153991D+01
      2  -0.133338D+01  0.195117D+01  0.116282D+01 -0.153991D+01  0.165867D+01
      3  -0.984931D+00  0.116282D+01  0.111804D+01 -0.298953D+01  0.244125D+01
               171           172           173           174           175 
      1  -0.298953D+01 -0.750731D+01  0.193066D+01  0.246262D+01  0.180408D+01
      2   0.244125D+01  0.193066D+01 -0.133322D+01 -0.785988D+00 -0.193383D+01
      3   0.511309D+01  0.246262D+01 -0.785988D+00 -0.166542D+01 -0.698281D+00
               176           177           178           179           180 
      1  -0.193383D+01 -0.698281D+00  0.593977D+01 -0.161234D+01 -0.257055D+01
      2   0.130557D+01  0.241559D+00 -0.161234D+01  0.931306D+00  0.929110D+00
      3   0.241559D+00  0.629454D+00 -0.257055D+01  0.929110D+00  0.243748D+01
               181           182           183           184           185 
      1  -0.265810D+01 -0.145080D+01 -0.108636D+01 -0.304405D+01 -0.168914D+01
      2  -0.145080D+01 -0.109817D+01 -0.970586D+00 -0.168914D+01 -0.319522D+01
      3  -0.108636D+01 -0.970586D+00 -0.121604D+01 -0.171384D+01 -0.207122D+01
               186           187           188           189           190 
      1  -0.171384D+01 -0.144615D+01 -0.105916D+01 -0.205789D+01 -0.205299D+00
      2  -0.207122D+01 -0.105916D+01 -0.191375D+01 -0.132439D+01  0.794820D+00
      3  -0.196193D+01 -0.205789D+01 -0.132439D+01 -0.290902D+01 -0.259730D+00
               191           192           193           194           195 
      1   0.794820D+00 -0.259730D+00  0.177650D+01 -0.154905D+01  0.662844D+00
      2   0.258529D+00 -0.334462D+00 -0.154905D+01  0.528273D+01 -0.316370D+01
      3  -0.334462D+00  0.207670D+00  0.662844D+00 -0.316370D+01  0.264727D+01
               196           197           198           199           200 
      1  -0.690183D+00  0.606035D+00 -0.126478D+01 -0.482632D+00  0.132677D+01
      2   0.606035D+00 -0.317725D+01  0.273227D+01  0.132677D+01  0.887435D+00
      3  -0.126478D+01  0.273227D+01 -0.362914D+01 -0.751473D+00 -0.296826D+00
               201           202           203           204           205 
      1  -0.751473D+00  0.131526D+01  0.111712D+01 -0.210845D+00 -0.191347D+01
      2  -0.296826D+00  0.111712D+01  0.537685D+01 -0.183370D+01  0.149637D+00
      3  -0.380096D-01 -0.210845D+00 -0.183370D+01  0.145727D+01  0.736951D+00
               206           207           208           209           210 
      1   0.149637D+00  0.736951D+00  0.346846D+00 -0.115093D+01  0.507594D+00
      2  -0.165683D+01  0.107108D+01 -0.115093D+01 -0.267113D+00  0.217654D-01
      3   0.107108D+01 -0.673386D+00  0.507594D+00  0.217654D-01  0.843405D-01
               211           212           213           214           215 
      1  -0.191799D+01 -0.592486D+00 -0.228210D-01  0.755703D+00 -0.141327D+00
      2  -0.592486D+00 -0.596619D+01  0.144787D+01 -0.141327D+00  0.184272D+01
      3  -0.228210D-01  0.144787D+01 -0.120794D+01 -0.215243D+00 -0.969776D+00
               216           217           218           219           220 
      1  -0.215243D+00  0.131769D+01  0.342235D+00 -0.585182D+00  0.934666D+00
      2  -0.969776D+00  0.342235D+00 -0.799025D+00  0.131647D+00 -0.585689D-01
      3   0.687687D+00 -0.585182D+00  0.131647D+00 -0.503926D+00  0.220397D-01
               221           222           223           224           225 
      1  -0.585689D-01  0.220397D-01 -0.184870D+01 -0.869292D+00  0.748035D+00
      2   0.105998D+01 -0.102933D+01 -0.869292D+00 -0.198273D+01  0.199842D+01
      3  -0.102933D+01  0.100109D+01  0.748035D+00  0.199842D+01 -0.731761D+01
               226           227           228           229           230 
      1   0.100734D+02  0.280137D+01  0.654349D+00  0.157324D+01  0.126582D+01
      2   0.280137D+01  0.176574D+01  0.166952D+00  0.126582D+01  0.873216D+00
      3   0.654349D+00  0.166952D+00  0.117059D+01  0.185663D+00  0.392604D+00
               231           232           233           234           235 
      1   0.185663D+00  0.152791D+01  0.517403D+00  0.120707D+01 -0.748350D+00
      2   0.392604D+00  0.517403D+00  0.693182D+00  0.592576D+00  0.983614D+00
      3   0.290141D+00  0.120707D+01  0.592576D+00  0.139054D+00  0.110542D+01
               236           237           238           239           240 
      1   0.983614D+00  0.110542D+01  0.233753D+01 -0.787479D+00 -0.356336D+00
      2  -0.257622D+01 -0.458060D+00 -0.787479D+00  0.495569D+01  0.146808D+01
      3  -0.458060D+00 -0.102463D+01 -0.356336D+00  0.146808D+01  0.147965D+01
               241           242           243 
      1   0.149009D+01 -0.144773D+00 -0.550335D+00
      2  -0.144773D+00  0.229590D+01  0.175051D+01
      3  -0.550335D+00  0.175051D+01  0.113829D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101477D+02 -0.504283D+01  0.369063D+00 -0.291124D+01 -0.124625D+02
      2   0.132778D+02 -0.268453D+01  0.554266D+01 -0.525871D+01 -0.488129D+01
      3  -0.611706D+01 -0.391711D+01 -0.569972D+01  0.423981D+01 -0.410210D+01
                 6             7             8             9            10 
      1   0.414983D+01 -0.792173D+00  0.121183D+02  0.294099D+01 -0.104170D+02
      2  -0.152847D+01  0.196896D+00 -0.864664D+00  0.181709D+01 -0.293250D+02
      3   0.100708D+02 -0.512295D+01  0.114190D+02 -0.609442D-01  0.420290D+01
                11            12            13            14            15 
      1   0.373493D+01  0.200761D+01  0.395503D+01  0.585263D+01 -0.842252D+01
      2   0.867383D+01  0.604401D+01  0.167573D+02  0.638376D+01 -0.445779D+01
      3  -0.769222D+01 -0.356024D+01  0.207374D+01  0.707266D+01 -0.114772D+02
                16            17            18            19            20 
      1   0.912494D+01  0.872578D-01  0.570695D-01  0.115901D+02 -0.477104D+01
      2   0.138885D+02 -0.496185D+01 -0.434905D+01  0.340388D+02 -0.614020D+01
      3  -0.296869D+01 -0.127991D+02  0.288015D+01 -0.411641D+01 -0.164356D+01
                21            22            23            24            25 
      1  -0.225927D+01 -0.907870D+01 -0.564780D+01  0.575318D-01 -0.107185D+02
      2   0.123721D+01 -0.154237D+02  0.599942D+01  0.386517D+01 -0.188804D+02
      3   0.121160D+01  0.107749D+02 -0.184298D+00 -0.203353D+01 -0.979927D+00
                26            27            28            29            30 
      1   0.830535D+01  0.261965D+01 -0.122360D+02  0.163295D+01  0.520915D+00
      2   0.483608D+01  0.475729D+01 -0.340227D+02  0.256078D+01 -0.780082D+01
      3   0.287001D+00 -0.224713D+01  0.458109D+01  0.299676D+01  0.295824D+01
                31            32            33            34            35 
      1   0.325774D+01  0.373703D+01 -0.239181D+01  0.343585D+01  0.221393D+01
      2   0.778238D+01 -0.309348D+01  0.189475D+01 -0.422773D+02  0.332181D+01
      3   0.181280D+02 -0.180549D+01  0.134530D+01  0.864493D+01  0.567061D+00
                36            37            38            39            40 
      1  -0.963977D+00  0.102583D+02 -0.149549D+01 -0.173364D+01 -0.822297D+01
      2  -0.114586D+02  0.399560D+02 -0.440255D+01  0.140479D+02 -0.494490D+01
      3   0.115209D+01  0.278032D+01 -0.672132D+01 -0.174332D+01  0.742667D+01
                41            42            43            44            45 
      1   0.889860D-01 -0.229389D+01 -0.340314D+01  0.117118D+01 -0.226690D+00
      2  -0.997136D+00  0.113354D+01  0.144636D+02  0.350244D+00  0.806510D+01
      3  -0.101650D+02  0.539888D+01 -0.594154D+01  0.348050D+01 -0.150333D+01
                46            47            48            49            50 
      1  -0.954321D+01 -0.105338D+01  0.792256D+01 -0.117127D+01  0.871201D+01
      2  -0.229871D+02  0.405769D+01 -0.182807D+02  0.150453D+01 -0.192087D+01
      3  -0.832111D+01  0.757513D+01  0.369717D+01  0.188209D+02  0.378723D+01
                51            52            53            54            55 
      1   0.320806D+01  0.466765D+01  0.140999D+02 -0.452734D+01  0.474477D+01
      2   0.386865D+01 -0.281302D+02 -0.143030D+01 -0.987277D+01  0.176903D+02
      3   0.271920D+01  0.120292D+01  0.633759D+01 -0.137042D+01  0.451314D+01
                56            57            58            59            60 
      1   0.150273D+01 -0.160696D+01 -0.193521D+01 -0.310744D+01 -0.441885D+01
      2  -0.404387D+01  0.185513D+02 -0.112269D+02  0.702604D+01 -0.121888D+02
      3  -0.159071D+02 -0.731030D-01 -0.790714D+01  0.173132D+02 -0.443188D+01
                61            62            63            64            65 
      1   0.140171D+01 -0.352249D+00  0.250383D+01  0.357998D+01 -0.340965D+01
      2   0.164000D+02 -0.541200D+01  0.167475D+02  0.165781D+02 -0.975458D+01
      3  -0.215676D+00 -0.882322D+01  0.466993D+01  0.247241D+01  0.273091D+01
                66            67            68            69            70 
      1  -0.361479D+01 -0.509063D+01 -0.342527D+01 -0.449968D+01 -0.597596D+01
      2  -0.579792D+01 -0.897334D+01 -0.155176D+02  0.559295D+01 -0.190076D+02
      3   0.649526D+01  0.132147D+02 -0.287366D+01  0.204304D+02  0.586336D+01
                71            72            73            74            75 
      1   0.785375D+00 -0.452120D+00 -0.141060D+00 -0.344653D+01 -0.758198D+01
      2   0.808442D+01 -0.327085D+01  0.377404D+01 -0.174812D+01  0.135497D+02
      3   0.193675D+02 -0.314245D+01  0.855781D-01 -0.525714D+01 -0.694497D-01
                76            77            78            79            80 
      1   0.132526D+00 -0.336314D+01  0.530064D+01 -0.568975D+01  0.109085D+02
      2   0.243000D+01 -0.730082D+01  0.810620D+00  0.336402D+01 -0.424121D+00
      3   0.215972D+00 -0.123696D+02  0.113349D+02 -0.141603D+00  0.107509D+02
                81            82            83            84            85 
      1   0.139490D+01  0.635750D+00  0.101744D+02  0.753332D+01  0.132412D+02
      2   0.705979D+01 -0.428061D+00 -0.189054D+01 -0.222701D+00 -0.267743D+01
      3   0.794348D+01  0.248917D+01 -0.133158D+02  0.208413D+01 -0.429926D+01
                86            87            88            89            90 
      1   0.451327D+01 -0.734229D+01  0.540684D+01 -0.163269D+01 -0.395507D+01
      2  -0.332887D+01  0.160385D+01 -0.694387D+01  0.288815D+01  0.226150D+01
      3   0.680078D+01 -0.386625D+01  0.347381D+01 -0.709184D+01 -0.955324D+01
                91            92            93            94            95 
      1   0.366100D+01 -0.302454D+01 -0.506285D+01  0.439512D+00  0.295341D+01
      2  -0.104300D+02 -0.667055D+00  0.767634D+01 -0.716959D-01 -0.396251D+01
      3  -0.133374D+01 -0.191456D+02 -0.348159D+01 -0.992799D+01  0.310304D+01
                96            97            98            99           100 
      1  -0.207409D+01  0.261853D+01  0.953760D+01 -0.784003D+01  0.122319D+01
      2  -0.283810D+01 -0.265562D+01 -0.799256D+01  0.162514D+02  0.207062D+01
      3   0.536653D+01 -0.206094D+01  0.793817D+01  0.990441D+01  0.448169D+01
               101           102           103           104           105 
      1  -0.247537D+01 -0.198244D+01 -0.609601D+00 -0.826119D+00 -0.174675D+01
      2  -0.398018D+00  0.362269D+01  0.102882D+01  0.570844D-01  0.125017D+01
      3  -0.512961D+01 -0.990645D+00 -0.509330D+00 -0.174422D+01 -0.142117D-01
               106           107           108           109           110 
      1  -0.103745D+01  0.393825D+00  0.162310D+01  0.135557D+01  0.252260D+01
      2  -0.111567D+01  0.127318D+01 -0.376147D+01 -0.730276D+01  0.991218D+00
      3  -0.105738D+01  0.618785D+00 -0.441541D+00 -0.367594D+01  0.138707D+01
               111           112           113           114           115 
      1   0.382260D+01  0.972927D+00  0.155989D+01 -0.460415D+00  0.199952D+01
      2  -0.819115D+01  0.501019D+00 -0.222821D+01  0.436239D+00 -0.813862D+01
      3  -0.281528D+01  0.196204D+01 -0.142207D+00  0.107797D+01 -0.254063D+01
               116           117           118           119           120 
      1   0.243742D+01  0.671635D+01 -0.156395D+01  0.119221D+01 -0.518849D+00
      2   0.203630D+01 -0.160307D+02 -0.408180D+01  0.128974D+01  0.523575D+00
      3   0.170136D+01 -0.460519D+01  0.893028D+00 -0.163391D+01  0.623664D+00
               121           122           123           124           125 
      1   0.238895D+01 -0.768256D+00  0.107927D+01  0.180670D+01  0.450397D+01
      2   0.552781D+01 -0.331786D+00 -0.765359D+00 -0.348373D+01 -0.792663D+00
      3   0.105175D+01  0.173736D-01 -0.105011D+01  0.485222D+00 -0.105270D+01
               126           127           128           129           130 
      1  -0.288925D+01  0.763985D+00 -0.237587D+01  0.220706D+01 -0.113312D+01
      2   0.459379D+01  0.457219D+00  0.116945D+00  0.354245D+00  0.556290D+00
      3   0.126389D+01 -0.148521D+02  0.838606D+01  0.573306D+00  0.101077D+02
               131           132           133           134           135 
      1   0.222426D+01 -0.355617D+01  0.830781D+00 -0.106217D+01  0.148901D+01
      2   0.363420D+00 -0.346757D+00 -0.125099D+01  0.824344D+00 -0.475795D+00
      3  -0.131702D+02 -0.114305D+00 -0.204095D+01  0.236210D+01 -0.176797D+01
               136           137           138           139           140 
      1  -0.265672D+01 -0.191023D+01 -0.492301D+01 -0.164389D+01 -0.213372D+01
      2  -0.105093D+01  0.756106D+00  0.303878D+01  0.254979D+00  0.138163D+01
      3   0.513203D+01 -0.123394D+00  0.153210D+01  0.265761D+01 -0.289290D+01
               141           142           143           144           145 
      1  -0.308772D+01 -0.365020D+01 -0.126765D+01 -0.615189D+01  0.128438D+01
      2   0.192943D+01 -0.143751D+00  0.193506D+01  0.317993D+01 -0.821505D+00
      3  -0.336929D+00  0.260397D+01 -0.708467D+00  0.137931D+01  0.428047D+01
               146           147           148           149           150 
      1   0.174912D+01 -0.104396D+01  0.100964D+01  0.121133D+02 -0.774954D+01
      2  -0.576963D+00  0.686958D+00 -0.503065D+00  0.797725D+00 -0.119260D+01
      3   0.239579D+01 -0.102284D+01  0.515550D+01  0.137080D+02 -0.320099D+01
               151           152           153           154           155 
      1  -0.623200D+00 -0.597890D+01  0.626185D+01 -0.452809D+01  0.264226D+01
      2  -0.804139D+00 -0.142000D+01  0.174419D+01 -0.144880D+02  0.538728D+00
      3  -0.300029D+01 -0.700897D+01  0.297988D+01  0.131527D+02 -0.795715D+00
               156           157           158           159           160 
      1  -0.347996D+01  0.186623D+01 -0.843325D+00 -0.271672D+00 -0.331259D+01
      2  -0.379264D+01  0.270777D+01 -0.146284D+01  0.673241D+00 -0.683404D+01
      3   0.435911D+01  0.163305D+00  0.135531D+01 -0.512273D+00  0.377092D+01
               161           162           163           164           165 
      1   0.980898D+00 -0.355357D+01 -0.403477D+01 -0.140216D+00  0.460408D+01
      2  -0.729834D+00 -0.497243D+01 -0.224609D-01  0.158905D+01  0.330264D+01
      3  -0.647047D+00  0.393249D+01 -0.420920D+01 -0.262012D+01  0.208491D+01
               166           167           168           169           170 
      1   0.602727D+00  0.180794D+00 -0.237832D+01  0.402270D+01 -0.891399D+00
      2  -0.435627D+00 -0.463282D+00 -0.737267D+00 -0.154918D+01 -0.229533D+01
      3   0.846495D+00  0.135910D+01 -0.268884D+00  0.420114D+01  0.790946D+00
               171           172           173           174           175 
      1  -0.742422D+01 -0.349750D+01  0.889579D+00  0.255032D+01  0.152096D+01
      2  -0.615363D+01 -0.129971D+02  0.438725D+01  0.103741D+02  0.374975D+01
      3  -0.974997D+00 -0.150236D+00 -0.564369D+01 -0.103732D+01 -0.407148D+01
               176           177           178           179           180 
      1  -0.587142D+00 -0.158528D+01  0.304209D+01  0.221094D+00 -0.288531D+01
      2  -0.192751D+01 -0.347029D+01  0.107862D+02 -0.416966D+01 -0.119940D+02
      3   0.344146D+01  0.160458D+00 -0.835102D+00  0.309370D+01  0.135335D+01
               181           182           183           184           185 
      1   0.194957D+01  0.201382D+01  0.117231D+01  0.209347D+01  0.535821D+01
      2   0.186573D+01  0.235501D+01  0.470625D+01  0.292178D+01  0.661122D+01
      3  -0.646636D+01 -0.620260D+01 -0.448358D+01 -0.592291D+01 -0.148752D+02
               186           187           188           189           190 
      1   0.155170D+01  0.204708D+01  0.420930D+01  0.227770D+01 -0.237726D+00
      2   0.685055D+01  0.433274D+01  0.434725D+01  0.929280D+01  0.142782D+01
      3  -0.890854D+01 -0.436727D+01 -0.898525D+01 -0.628511D+01  0.323777D+01
               191           192           193           194           195 
      1  -0.221736D-01  0.196028D-01 -0.458846D-01 -0.176004D+01 -0.231162D+01
      2   0.159317D+01  0.102369D-01 -0.284748D-01  0.105733D+02 -0.952989D+01
      3   0.728113D+00 -0.133505D+01 -0.135553D+01  0.177529D+02 -0.109382D+02
               196           197           198           199           200 
      1   0.899692D+00  0.155329D+01  0.243745D+01 -0.527015D-01 -0.119354D+01
      2   0.201576D+01 -0.937485D+01  0.119623D+02 -0.294986D+00  0.134266D+01
      3   0.318639D+00 -0.116797D+02  0.888869D+01  0.214000D+00 -0.296478D+00
               201           202           203           204           205 
      1  -0.407438D+00 -0.237294D+01 -0.601389D+01 -0.139551D+01 -0.485818D+01
      2  -0.472196D+00  0.185278D+01  0.990766D+00  0.501044D+00 -0.349576D+01
      3   0.283919D+00  0.300867D+01 -0.229901D+01 -0.828037D-01 -0.132349D+01
               206           207           208           209           210 
      1   0.244993D+01 -0.123515D+01  0.104507D+01  0.606524D-01 -0.993334D-01
      2   0.195902D-01  0.390676D+00  0.250686D+01 -0.327794D+00  0.298283D+00
      3   0.498397D+00 -0.903956D+00  0.339267D+01  0.158230D+01 -0.509283D+00
               211           212           213           214           215 
      1  -0.702713D+00  0.699116D+00 -0.350822D+01 -0.182443D+01  0.139009D+00
      2  -0.157443D+00  0.340499D+01 -0.246241D+01 -0.374304D+01 -0.209016D+01
      3   0.663896D+01  0.126037D+02 -0.307535D+01 -0.122425D+01 -0.388026D+01
               216           217           218           219           220 
      1   0.690577D+00  0.609944D-01 -0.336593D+00  0.126775D+01 -0.124028D+01
      2   0.928858D+00 -0.150080D+01  0.844356D+00 -0.175819D+01  0.159143D+01
      3   0.218865D+01 -0.805842D+00  0.253659D+01 -0.178987D+01  0.108835D+01
               221           222           223           224           225 
      1   0.884126D+00 -0.166771D+01 -0.153384D+01 -0.196523D+01  0.126320D+02
      2  -0.324366D+01  0.316584D+01  0.109634D+00  0.680366D+01 -0.252824D+02
      3  -0.411433D+01  0.343015D+01 -0.405279D+00  0.504715D+01 -0.684256D+01
               226           227           228           229           230 
      1  -0.239142D+01 -0.683408D+00 -0.209396D+01 -0.862834D+00 -0.832558D+00
      2   0.626403D+01  0.170864D+01  0.642383D+01  0.159027D+01  0.181449D+01
      3   0.458858D+01 -0.468472D+01  0.677366D+00 -0.134325D+00 -0.120521D+01
               231           232           233           234           235 
      1  -0.135362D+01 -0.135437D+01 -0.715469D-01 -0.357874D+00 -0.100026D+01
      2   0.144610D+01  0.345020D+01  0.180745D+01  0.111300D+01  0.348973D+01
      3  -0.118217D+01  0.374823D+00 -0.219044D+01 -0.843594D+00 -0.730412D+01
               236           237           238           239           240 
      1   0.326564D+01  0.241127D+01  0.189665D+01 -0.506576D+01 -0.408091D+01
      2  -0.221100D+01 -0.242481D+01 -0.105552D+01  0.525610D+01  0.449565D+01
      3   0.115187D+02  0.406939D+01  0.796886D+01 -0.195183D+02 -0.620560D+01
               241           242           243 
      1   0.324309D+00 -0.400164D+01 -0.322085D+01
      2  -0.196941D+01  0.657730D+01  0.382099D+01
      3   0.328624D+01 -0.939330D+01 -0.799391D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.129030D+02 -0.210678D+01  0.661295D+01 -0.409610D+01  0.121805D+01
      2   0.577967D+01 -0.545398D+01 -0.136737D+01 -0.274927D+01 -0.172171D+02
      3  -0.186827D+02  0.756077D+01 -0.524558D+01  0.684537D+01  0.159990D+02
      4  -0.131179D+01 -0.245283D+01 -0.197343D+02 -0.249197D+01  0.112561D+02
      5   0.134750D+02 -0.113559D+02 -0.162398D+02 -0.981259D+01 -0.796517D+01
      6  -0.140682D+02  0.117184D+02  0.102775D+02  0.707094D+01  0.121732D+02
                 6             7             8             9            10 
      1  -0.158543D+02  0.645583D+01 -0.177798D+02 -0.104406D+01 -0.131604D+02
      2   0.209775D+02 -0.165893D+01  0.268205D+02  0.224878D+01  0.525137D+01
      3  -0.512315D+01 -0.479690D+01 -0.904074D+01 -0.120472D+01  0.790898D+01
      4  -0.294516D+01 -0.222783D+02 -0.473703D+00  0.121552D+02  0.178220D+01
      5   0.822838D+01 -0.179785D+02  0.123436D+02  0.122431D+02 -0.240276D+02
      6   0.335313D+00  0.111543D+02 -0.333890D+01 -0.727376D+01  0.772808D+01
                11            12            13            14            15 
      1   0.310860D+01 -0.181485D+02  0.689216D+01  0.100418D+02  0.120883D+02
      2  -0.126140D+01  0.460818D+01 -0.333127D+01  0.532582D+00 -0.646439D+01
      3  -0.184719D+01  0.135403D+02 -0.356089D+01 -0.105744D+02 -0.562395D+01
      4   0.603109D+01  0.124528D+02  0.782191D+01 -0.221521D+02  0.123066D+02
      5   0.983612D+01  0.289872D+01  0.990577D+01  0.173700D+02 -0.660947D+01
      6  -0.733729D+01 -0.278472D+01  0.134334D+00  0.121065D+01 -0.606530D+01
                16            17            18            19            20 
      1  -0.201144D+02  0.155513D+02 -0.100705D+01  0.250510D+02  0.347484D+01
      2   0.248737D+01 -0.133322D+02 -0.339625D+01 -0.808041D+01 -0.565244D+01
      3   0.176271D+02 -0.221906D+01  0.440330D+01 -0.169706D+02  0.217760D+01
      4   0.159879D+02  0.988444D+01 -0.761814D+01  0.121545D+00 -0.405108D+01
      5   0.113189D+02 -0.889019D+01  0.679468D-01  0.275007D+01 -0.111259D+01
      6  -0.618494D+01 -0.183575D+01  0.199534D+01 -0.312040D+01  0.236306D+01
                21            22            23            24            25 
      1   0.617965D+01  0.446044D+01 -0.322188D+01 -0.745415D+01  0.209819D+02
      2   0.419042D+01 -0.488623D+01 -0.633036D+01 -0.137019D+00  0.637757D+01
      3  -0.103701D+02  0.425791D+00  0.955225D+01  0.759116D+01 -0.273594D+02
      4  -0.282125D+01 -0.865459D+01 -0.317833D+01  0.297214D+01 -0.932035D+01
      5  -0.373061D+01 -0.301218D+01  0.569891D+00  0.574969D+01 -0.132523D+02
      6   0.302764D+01 -0.333927D+00 -0.497533D+01  0.256319D+01  0.321721D+01
                26            27            28            29            30 
      1  -0.957827D+01  0.183846D+02 -0.999182D+02  0.980900D+01 -0.129010D+02
      2   0.454852D+01  0.927301D+01  0.398390D+02 -0.565006D+01  0.418913D+01
      3   0.502975D+01 -0.276576D+02  0.600792D+02 -0.415895D+01  0.871186D+01
      4   0.474126D+01  0.749505D+01  0.164102D+02 -0.100977D+02  0.119219D+01
      5   0.908106D+01 -0.158379D+02 -0.641616D+01 -0.592798D+00 -0.914802D+01
      6   0.433133D+00 -0.561594D+00  0.723099D+01  0.218586D+01  0.164842D+01
                31            32            33            34            35 
      1   0.390857D+02 -0.570039D+01  0.238098D+01 -0.409332D+02 -0.111215D+01
      2  -0.186855D+02  0.322507D+01 -0.370386D-01  0.104959D+02  0.315347D+01
      3  -0.204002D+02  0.247533D+01 -0.234394D+01  0.304373D+02 -0.204133D+01
      4  -0.114856D+02 -0.203591D+01  0.149365D+01  0.907014D+01 -0.301638D+01
      5   0.767106D+01  0.300715D+01  0.134128D+01 -0.830028D+01 -0.187761D+01
      6   0.129805D+01  0.913414D+01 -0.117809D+01 -0.728571D-01  0.299778D+01
                36            37            38            39            40 
      1  -0.289634D+02  0.148426D+03 -0.223315D+02  0.299989D+02 -0.165214D+02
      2  -0.404467D+00 -0.651572D+02  0.939467D+01 -0.107569D+02  0.343831D+01
      3   0.293678D+02 -0.832690D+02  0.129369D+02 -0.192420D+02  0.130831D+02
      4   0.248260D+01 -0.431486D+02  0.139879D+02 -0.594134D+01  0.150979D+02
      5  -0.141765D+02  0.254916D+02 -0.193985D+01  0.203212D+02  0.436694D+01
      6   0.546471D+01 -0.108234D+02 -0.623177D+00 -0.439478D+01 -0.165037D+01
                41            42            43            44            45 
      1   0.100314D+02 -0.814428D+01  0.393683D+02 -0.927283D+01  0.106308D+02
      2  -0.855177D+01  0.277056D+01 -0.175160D+02  0.776382D+01 -0.799430D+01
      3  -0.147966D+01  0.537371D+01 -0.218523D+02  0.150902D+01 -0.263654D+01
      4   0.853868D+01 -0.585305D+01 -0.640655D+01 -0.644300D+01 -0.402098D+01
      5  -0.799164D+01 -0.166987D+01  0.284224D+02 -0.442937D+01  0.763862D+01
      6   0.552834D+01  0.385089D+01 -0.921611D+01  0.581862D+01 -0.150350D+00
                46            47            48            49            50 
      1  -0.134755D+03  0.332546D+02 -0.265831D+02  0.389020D+02 -0.215767D+02
      2   0.621582D+02 -0.154572D+02  0.158425D+02 -0.252318D+02  0.546386D+01
      3   0.725966D+02 -0.177975D+02  0.107406D+02 -0.136702D+02  0.161129D+02
      4   0.596529D+02 -0.308967D+02  0.164240D+02 -0.328143D+02 -0.727772D+01
      5  -0.443574D+02  0.126326D+02 -0.262360D+02  0.222491D+02 -0.137138D+01
      6   0.168755D+02 -0.638994D+01  0.308817D+01  0.565264D+00  0.416675D+01
                51            52            53            54            55 
      1   0.132680D+02 -0.520038D+02  0.142139D+02 -0.181592D+02  0.145017D+03
      2  -0.119075D+02  0.255536D+02 -0.425013D+01  0.635202D+01 -0.714783D+02
      3  -0.136050D+01  0.264503D+02 -0.996377D+01  0.118072D+02 -0.735387D+02
      4  -0.112755D+01  0.308533D+02 -0.452631D+01  0.708920D+01 -0.607202D+02
      5   0.517193D+01 -0.164099D+02  0.498136D+01 -0.154063D+02  0.390750D+02
      6  -0.517997D+01  0.151197D+01  0.659080D+00  0.597015D+01 -0.845459D+01
                56            57            58            59            60 
      1  -0.370909D+02  0.276675D+02 -0.776829D+02  0.275885D+02 -0.132385D+02
      2   0.142633D+02 -0.177848D+02  0.313973D+02 -0.265947D+01  0.822359D+01
      3   0.228275D+02 -0.988271D+01  0.462855D+02 -0.249290D+02  0.501494D+01
      4   0.388849D+02 -0.129472D+02  0.634076D+02 -0.471953D+02  0.171038D+02
      5  -0.110753D+02  0.315390D+02 -0.239587D+02  0.146313D+02 -0.172510D+02
      6   0.432535D+01 -0.572812D+01  0.100225D+02 -0.648573D+01  0.117066D+02
                61            62            63            64            65 
      1   0.499234D+02 -0.756012D+01  0.249141D+02 -0.106690D+02  0.131228D+01
      2  -0.295181D+02  0.550797D+01 -0.215437D+02  0.376415D+01  0.196190D+01
      3  -0.204053D+02  0.205215D+01 -0.337042D+01  0.690487D+01 -0.327418D+01
      4  -0.215294D+02  0.135655D+02 -0.209479D+02  0.809972D+00 -0.829391D+01
      5   0.501696D+02 -0.196614D+02  0.366871D+02  0.325145D+02 -0.195711D+02
      6  -0.973033D+01  0.109407D+02 -0.948643D+01 -0.100274D+02  0.268596D+01
                66            67            68            69            70 
      1   0.276153D+02 -0.259305D+01 -0.505859D+01 -0.265019D+02  0.395914D+02
      2  -0.109670D+02  0.530860D+01  0.493692D+01  0.182934D+02 -0.156062D+02
      3  -0.166483D+02 -0.271556D+01  0.121666D+00  0.820850D+01 -0.239853D+02
      4  -0.218030D+02 -0.151253D+02  0.589168D+01 -0.258343D+02 -0.236740D+02
      5  -0.746326D+01 -0.185621D+02 -0.283122D+02  0.397894D+01 -0.181466D+02
      6  -0.306011D+00 -0.156005D+01  0.965238D+01 -0.108475D+02  0.248690D+01
                71            72            73            74            75 
      1  -0.288513D+02 -0.100475D+02 -0.165690D+02 -0.120721D+02  0.203207D+02
      2   0.199449D+02  0.455473D+01  0.100611D+02  0.623297D+01  0.277161D+01
      3   0.890641D+01  0.549276D+01  0.650792D+01  0.583910D+01 -0.230923D+02
      4  -0.236379D+02  0.826324D+01 -0.213880D+02 -0.902497D+01  0.130740D+02
      5   0.714772D+01 -0.548682D+01  0.227736D+02  0.123016D+02 -0.225410D+01
      6  -0.117058D+02  0.256237D+01  0.107283D+02  0.856294D+01  0.312771D+01
                76            77            78            79            80 
      1  -0.129033D+02 -0.875309D+01  0.125243D+02  0.139244D+02  0.778838D+01
      2   0.940500D+01  0.255648D+01 -0.129134D+02  0.336138D+01 -0.680681D+01
      3   0.349834D+01  0.619660D+01  0.389101D+00 -0.172858D+02 -0.981571D+00
      4  -0.565246D+01  0.208076D+02 -0.855002D+01  0.886410D+01 -0.416965D+01
      5   0.141509D+02 -0.153314D+02 -0.596352D+01  0.140624D+01 -0.427994D+01
      6   0.194406D+01 -0.122603D+02  0.252989D+01  0.464188D+01 -0.642017D+00
                81            82            83            84            85 
      1   0.135788D+02  0.419835D+01 -0.114577D+02  0.429168D+01 -0.918869D+01
      2  -0.296656D+01 -0.715907D+01  0.170669D+02 -0.114679D+02  0.121676D+02
      3  -0.106122D+02  0.296072D+01 -0.560911D+01  0.717619D+01 -0.297896D+01
      4   0.924673D-01 -0.467489D+01 -0.503949D+01 -0.114821D+02 -0.303807D+00
      5  -0.673629D+00 -0.630307D+01 -0.122331D+02 -0.104821D+02 -0.115715D+02
      6   0.304770D+01 -0.560895D+01 -0.131558D+02 -0.125322D+02 -0.871992D+01
                86            87            88            89            90 
      1   0.396090D+01 -0.342195D+01  0.875817D+01 -0.420603D+01 -0.120784D+02
      2  -0.154148D+01 -0.311284D+00 -0.169080D+02 -0.244039D+01  0.839713D+01
      3  -0.241942D+01  0.373324D+01  0.814984D+01  0.664642D+01  0.368123D+01
      4   0.620268D+01 -0.947034D+01 -0.119074D+02 -0.154876D+02 -0.755812D+01
      5  -0.411009D+01  0.745643D+00 -0.126775D+02 -0.199694D+01  0.224180D+01
      6  -0.131739D+01 -0.192317D+01 -0.133438D+02 -0.104368D+01  0.666112D+00
                91            92            93            94            95 
      1  -0.544399D+02 -0.273693D+02 -0.136265D+02 -0.126137D+02  0.202679D+02
      2   0.223111D+02  0.221411D+02  0.106351D+02  0.137716D+02 -0.905589D+01
      3   0.321288D+02  0.522825D+01  0.299134D+01 -0.115786D+01 -0.112120D+02
      4  -0.241301D+02  0.139538D+02 -0.527239D+01  0.196812D+02  0.115073D+02
      5  -0.118687D+02 -0.216107D+01  0.111258D+02 -0.355668D+01 -0.105599D+02
      6  -0.571486D+01  0.107625D+01  0.588421D+01 -0.108882D+01 -0.943292D+01
                96            97            98            99           100 
      1   0.264561D+01 -0.214763D+02  0.556063D+00  0.187703D+02  0.474119D+02
      2  -0.740556D+01  0.112868D+02 -0.108120D+02 -0.391200D+01 -0.248101D+02
      3   0.475995D+01  0.101895D+02  0.102560D+02 -0.148583D+02 -0.226018D+02
      4  -0.858686D+01 -0.810521D+01 -0.890611D+01 -0.978900D+01  0.335456D+02
      5  -0.627672D+01  0.480151D+01 -0.117354D+02  0.289635D+02 -0.327453D+02
      6  -0.125889D+01  0.224637D+01 -0.696133D+01  0.133770D+02 -0.130055D+02
               101           102           103           104           105 
      1   0.110374D+02 -0.143199D+02  0.895833D+01  0.630576D+01 -0.257902D+01
      2  -0.240133D+01  0.967305D+01 -0.129304D+01  0.204017D+01  0.147337D+01
      3  -0.863611D+01  0.464686D+01 -0.766529D+01 -0.834592D+01  0.110565D+01
      4   0.212588D+02 -0.137672D+02  0.183475D+02  0.135967D+02 -0.744952D+01
      5  -0.117140D+02  0.198436D+02 -0.898043D+01 -0.741918D+01  0.636708D+01
      6  -0.877909D+01  0.806419D+01 -0.770221D+01 -0.520393D+01  0.582516D+01
               106           107           108           109           110 
      1  -0.101852D+02 -0.256867D+01  0.442701D+01 -0.579868D+01  0.515428D+01
      2   0.743581D+01  0.273417D+01 -0.676183D+01 -0.155687D+01 -0.342921D+01
      3   0.274941D+01 -0.165501D+00  0.233481D+01  0.735555D+01 -0.172506D+01
      4  -0.962456D+01 -0.557273D+01  0.934772D+01 -0.306960D+00 -0.987155D+00
      5   0.170945D+02  0.763013D+01 -0.145299D+02 -0.831681D+00 -0.130799D+01
      6   0.705509D+01  0.520747D+01 -0.761674D+01 -0.467370D+01  0.312882D+01
               111           112           113           114           115 
      1  -0.148015D+02  0.197775D+01 -0.485501D+01  0.101762D+01 -0.100346D+02
      2  -0.220304D+01 -0.170653D+01  0.908603D+00 -0.149357D+01  0.822032D+00
      3   0.170046D+02 -0.271218D+00  0.394641D+01  0.475952D+00  0.921254D+01
      4  -0.314542D+01  0.115954D+01 -0.159263D+01 -0.131080D+01 -0.260728D+01
      5  -0.174977D+01 -0.127096D+01  0.279815D+00  0.779211D+00  0.185355D+01
      6  -0.724036D+01  0.183014D+01 -0.198814D+01  0.684616D+01 -0.229912D+01
               116           117           118           119           120 
      1   0.437875D+01 -0.252850D+02 -0.972405D+00  0.157808D+00 -0.930571D+00
      2  -0.113747D+01 -0.898438D+01 -0.664775D+01  0.586008D+00 -0.489787D+01
      3  -0.324128D+01  0.342694D+02  0.762016D+01 -0.743816D+00  0.582844D+01
      4  -0.350503D+01  0.117911D+01 -0.105150D+01  0.357221D+01 -0.529719D+00
      5   0.307931D+01 -0.140297D+02  0.799603D+01 -0.181711D+01  0.121286D+02
      6   0.727497D+01 -0.155933D+02 -0.616256D+00  0.879064D+00 -0.598025D-02
               121           122           123           124           125 
      1   0.458247D+01 -0.503599D+01  0.348972D+01 -0.660499D+01  0.165251D+01
      2  -0.142195D+01 -0.162763D+00  0.311917D+01 -0.662541D+01  0.341371D+01
      3  -0.316052D+01  0.519875D+01 -0.660889D+01  0.132304D+02 -0.506623D+01
      4   0.273386D+01 -0.100297D+01  0.330767D+01  0.807425D+00  0.275636D+01
      5  -0.235425D+01  0.396032D+01 -0.314405D+01  0.160586D+02 -0.350871D+01
      6   0.167598D+01 -0.128855D+01  0.727546D+01  0.529580D+00  0.546223D+01
               126           127           128           129           130 
      1  -0.270056D+02 -0.841689D+01  0.158129D+02  0.286476D+00  0.977938D+01
      2  -0.208849D+02  0.118057D+02 -0.222294D+02  0.887023D+00 -0.136623D+02
      3   0.478905D+02 -0.338881D+01  0.641649D+01 -0.117350D+01  0.388295D+01
      4  -0.210913D+01 -0.698351D+01  0.425389D+01  0.178589D+01  0.581127D+01
      5   0.247256D+02 -0.376426D+00  0.153326D+01  0.131732D+01  0.170461D+01
      6  -0.268084D+00  0.162588D+00  0.632511D+00 -0.257407D+01  0.487374D+00
               131           132           133           134           135 
      1  -0.251238D+02 -0.216276D+00 -0.212494D+01  0.342372D+01 -0.388930D+01
      2   0.376907D+02  0.298112D+00  0.306061D+01 -0.446794D+01  0.397427D+01
      3  -0.125668D+02 -0.818364D-01 -0.935670D+00  0.104422D+01 -0.849761D-01
      4  -0.269235D+00  0.968373D+00  0.252571D+00  0.787636D+00  0.481315D+00
      5   0.897751D-01  0.675947D+00  0.244954D+01  0.130815D+01 -0.705446D+00
      6   0.449020D+00  0.580140D+01 -0.109673D+01  0.688333D+01 -0.180501D+01
               136           137           138           139           140 
      1   0.893264D+01  0.122389D+01  0.186255D+01  0.150930D+01 -0.673995D+01
      2   0.173339D+01  0.630310D+01  0.191272D+01  0.462190D+01  0.158764D+02
      3  -0.106660D+02 -0.752700D+01 -0.377527D+01 -0.613120D+01 -0.913645D+01
      4   0.216986D+02  0.194454D+02  0.116285D+02  0.150495D+02  0.194532D+02
      5   0.130730D+02  0.944472D+01  0.124656D+02  0.685445D+01  0.972504D+01
      6   0.102890D+02  0.101241D+02  0.108935D+02  0.771801D+01  0.135180D+02
               141           142           143           144           145 
      1  -0.351035D+01  0.515660D+00 -0.522308D+01 -0.327041D+01 -0.357937D+01
      2   0.704043D+01  0.232084D+01  0.835491D+01  0.145413D+01  0.498502D+01
      3  -0.353009D+01 -0.283650D+01 -0.313182D+01  0.181629D+01 -0.140565D+01
      4   0.107669D+02  0.123385D+02  0.140143D+02  0.134231D+02 -0.135817D+01
      5   0.722788D+01  0.120795D+02  0.103630D+02  0.146450D+02  0.227399D+00
      6   0.103006D+02  0.109496D+02  0.142254D+02  0.165541D+02 -0.518937D-01
               146           147           148           149           150 
      1  -0.565127D+01  0.976286D+00 -0.364734D+01 -0.240964D+02  0.427726D+01
      2   0.687787D+01 -0.149575D+01  0.337335D+01  0.471523D+02 -0.113835D+02
      3  -0.122661D+01  0.519464D+00  0.273997D+00 -0.230559D+02  0.710624D+01
      4   0.565672D+01  0.304784D+00  0.644697D+01 -0.189930D+02  0.332191D+01
      5   0.192892D+01  0.225531D+01  0.149739D+01  0.541346D+01 -0.459042D+01
      6  -0.108828D+01 -0.509954D-02 -0.979561D+00 -0.161245D+01  0.768595D+01
               151           152           153           154           155 
      1   0.227135D+01  0.105925D+02 -0.410182D+01 -0.974347D+01 -0.477970D+01
      2  -0.144502D+01 -0.205443D+02  0.795286D+01 -0.228316D+01  0.580969D+01
      3  -0.826328D+00  0.995184D+01 -0.385104D+01  0.120266D+02 -0.102999D+01
      4  -0.192978D+01  0.889885D+01 -0.487096D+01  0.138123D+02 -0.571500D+00
      5   0.201068D+01 -0.551024D+01  0.364016D+01  0.672527D+01  0.359695D+00
      6  -0.436403D+00  0.734678D+01 -0.712237D+01  0.482970D+01  0.391879D+01
               156           157           158           159           160 
      1  -0.104558D+02  0.109700D+00 -0.222599D+01  0.284596D+01 -0.868529D+01
      2  -0.681620D+00  0.264607D+01  0.192048D+01 -0.417342D+00 -0.860224D+00
      3   0.111374D+02 -0.275577D+01  0.305508D+00 -0.242862D+01  0.954552D+01
      4   0.606412D+01 -0.819137D+00  0.211975D+01  0.561314D+00  0.706209D+01
      5   0.361101D+01 -0.512770D-01  0.217647D+01  0.620615D+00  0.492051D+01
      6   0.558320D+01  0.237603D+01 -0.145889D+01  0.145133D+01  0.368484D+01
               161           162           163           164           165 
      1   0.685701D-01 -0.100456D+02  0.109373D+02  0.255926D+00 -0.255012D+01
      2  -0.841168D+00 -0.271944D+01 -0.106737D+02 -0.157632D+01  0.745016D+01
      3   0.772598D+00  0.127651D+02 -0.263596D+00  0.132039D+01 -0.490004D+01
      4   0.632959D+00  0.304502D+01 -0.180218D+02  0.145833D+02  0.145769D+02
      5  -0.130059D+01  0.145178D+00 -0.231689D+02  0.113234D+02  0.218380D+02
      6   0.378922D+01  0.657123D+01  0.123759D+02 -0.109817D+02 -0.130639D+02
               166           167           168           169           170 
      1   0.897726D+00 -0.292674D+01 -0.202703D+01 -0.357693D+01 -0.335754D+01
      2  -0.210178D+01  0.539497D+01  0.103724D+01  0.834526D+01 -0.884787D+00
      3   0.120406D+01 -0.246823D+01  0.989790D+00 -0.476833D+01  0.424233D+01
      4   0.974131D+01 -0.109174D+02 -0.806087D+01  0.146214D+02 -0.110895D+02
      5   0.574306D+01 -0.773733D+01 -0.635554D+01  0.215398D+02 -0.127677D+02
      6  -0.758602D+01  0.817968D+01  0.989925D+01 -0.125537D+02  0.140594D+02
               171           172           173           174           175 
      1  -0.642493D+01  0.670213D+02 -0.135984D+02 -0.200612D+02 -0.121377D+02
      2  -0.989018D+01 -0.314928D+02  0.386642D+01  0.895799D+01  0.237186D+01
      3   0.163151D+02 -0.355285D+02  0.973194D+01  0.111032D+02  0.976581D+01
      4  -0.154782D+02 -0.226216D+02  0.144966D+02  0.835837D+01  0.186018D+02
      5  -0.278869D+02 -0.207447D+02  0.639367D+01  0.158758D+02  0.556161D+01
      6   0.212069D+02  0.469895D+01 -0.146054D+01 -0.310573D+01 -0.158709D+01
               176           177           178           179           180 
      1   0.994891D+01  0.547252D+01 -0.402562D+02  0.101801D+02  0.159249D+02
      2  -0.239201D+01 -0.175919D+01  0.191564D+02 -0.356580D+01 -0.900643D+01
      3  -0.755690D+01 -0.371333D+01  0.210998D+02 -0.661428D+01 -0.691848D+01
      4  -0.117094D+02 -0.361929D+01  0.160248D+02 -0.937544D+01 -0.825767D+01
      5  -0.265518D+01 -0.485943D+01  0.231762D+02 -0.735256D+01 -0.209754D+02
      6   0.822040D+00  0.401786D+01 -0.480807D+01  0.442676D+01  0.491136D+01
               181           182           183           184           185 
      1   0.219042D+02  0.106471D+02  0.807814D+01  0.220853D+02  0.862973D+01
      2  -0.136656D+02 -0.718408D+01 -0.707980D+01 -0.140643D+02 -0.593641D+01
      3  -0.823855D+01 -0.346301D+01 -0.998342D+00 -0.802104D+01 -0.269332D+01
      4   0.104704D+02  0.100570D+02  0.779401D+01  0.141275D+02  0.231669D+02
      5   0.113484D+02  0.911208D+01  0.122247D+02  0.153083D+02  0.149748D+02
      6   0.304769D+01  0.152607D+01  0.118909D+01  0.245727D+01  0.503074D+01
               186           187           188           189           190 
      1   0.102721D+02  0.103538D+02  0.683871D+01  0.931488D+01  0.502545D+00
      2  -0.101456D+02 -0.982989D+01 -0.768997D+01 -0.123373D+02  0.570174D+00
      3  -0.126534D+00 -0.523881D+00  0.851265D+00  0.302239D+01 -0.107272D+01
      4   0.142637D+02  0.841677D+01  0.132555D+02  0.906171D+01 -0.486378D+01
      5   0.154850D+02  0.184862D+02  0.104810D+02  0.221849D+02  0.870374D+00
      6   0.496866D+01  0.109378D+01  0.552105D+01  0.247171D+01 -0.240406D+01
               191           192           193           194           195 
      1  -0.772893D+01  0.326246D+01 -0.953047D+01 -0.867321D+01  0.775772D+01
      2   0.448818D+01 -0.133364D+01  0.282513D+01  0.139005D+02 -0.533369D+01
      3   0.324076D+01 -0.192882D+01  0.670534D+01 -0.522734D+01 -0.242403D+01
      4   0.299240D+01 -0.167859D+00  0.145980D+02 -0.330999D+02  0.198935D+02
      5  -0.448092D+00  0.249773D+01 -0.668090D+01  0.196118D+02 -0.169789D+02
      6  -0.109825D+01  0.708203D+00  0.426918D+01 -0.176155D+02  0.144932D+02
               196           197           198           199           200 
      1   0.353318D+01  0.846343D+01 -0.507808D+01 -0.148308D+01  0.141435D+01
      2  -0.251012D+01 -0.539423D+01 -0.143696D+01 -0.250156D+00  0.576148D-01
      3  -0.102306D+01 -0.306920D+01  0.651505D+01  0.173324D+01 -0.147196D+01
      4  -0.590227D+01  0.202487D+02 -0.168253D+02  0.305013D+01  0.511726D+01
      5   0.116488D+02 -0.169211D+02  0.228612D+02 -0.144605D+01 -0.228013D+01
      6  -0.393489D+01  0.146270D+02 -0.148805D+02 -0.222255D+01 -0.114958D+01
               201           202           203           204           205 
      1  -0.117082D+01  0.164341D+01 -0.120345D+02  0.612570D+01 -0.609984D+00
      2   0.477371D+00  0.124517D-01  0.108906D+02 -0.184291D+01  0.311371D+01
      3   0.693453D+00 -0.165586D+01  0.114386D+01 -0.428279D+01 -0.250372D+01
      4  -0.132462D+01  0.511210D+01  0.833801D+01 -0.349620D+01 -0.872146D+00
      5   0.180123D+01 -0.286374D+01 -0.501306D+01  0.319430D+01  0.184018D+01
      6   0.709312D+00 -0.124854D+01 -0.112227D+02  0.695038D+01  0.201176D+01
               206           207           208           209           210 
      1   0.509235D+01 -0.265228D+01 -0.985645D+00 -0.237441D+01  0.976548D+00
      2  -0.225387D+01  0.988005D+00  0.271592D+01  0.150420D+01 -0.528835D+00
      3  -0.283848D+01  0.166428D+01 -0.173028D+01  0.870211D+00 -0.447713D+00
      4  -0.194388D+01  0.972179D+00 -0.150625D+01  0.445753D+01 -0.113931D+01
      5   0.227024D+01 -0.933798D+00  0.111724D+01 -0.578194D+00  0.630018D+00
      6   0.553837D+01 -0.453594D+01 -0.999026D+00  0.809323D+00  0.879214D-01
               211           212           213           214           215 
      1  -0.489594D+01 -0.188283D+02  0.454439D+01  0.276088D+01  0.582100D+01
      2   0.281101D+01  0.238519D+02 -0.406307D+01 -0.404800D+00 -0.578449D+01
      3   0.208493D+01 -0.502364D+01 -0.481318D+00 -0.235608D+01 -0.365121D-01
      4   0.270292D+01 -0.164775D+02  0.374056D+01 -0.185324D+01  0.569671D+01
      5  -0.696824D+00  0.306330D+01 -0.255264D+01 -0.476783D+00 -0.243942D+01
      6   0.793131D+00 -0.335327D+01  0.487429D+01  0.150740D+01  0.421776D+01
               216           217           218           219           220 
      1  -0.461821D+01  0.558127D+01  0.584426D+01 -0.658995D+01  0.404689D+01
      2   0.355930D+01 -0.432969D+01 -0.451944D+01  0.228358D+01 -0.227791D+01
      3   0.105890D+01 -0.125157D+01 -0.132482D+01  0.430637D+01 -0.176898D+01
      4  -0.298042D+01  0.287577D+01 -0.255585D+01 -0.125766D+01  0.144910D+01
      5   0.211502D+01 -0.398436D+01  0.197614D+00  0.580527D+00 -0.972462D-01
      6  -0.344165D+01 -0.239562D+01  0.853221D+00 -0.194008D+01 -0.105062D+01
               221           222           223           224           225 
      1  -0.732449D+01  0.403276D+01 -0.834208D+01  0.355239D+01 -0.169043D+02
      2   0.485534D+01 -0.332176D+01  0.490305D+01 -0.147611D+01 -0.771071D+01
      3   0.246915D+01 -0.710999D+00  0.343903D+01 -0.207628D+01  0.246150D+02
      4   0.561136D+01 -0.611396D+01 -0.871561D+01 -0.132804D+02  0.117546D+02
      5  -0.643278D+01  0.614924D+01  0.100575D+02  0.135680D+02 -0.472865D+02
      6  -0.451024D+01  0.841091D+01  0.329327D+01  0.114097D+02 -0.228597D+02
               226           227           228           229           230 
      1   0.865436D+02  0.199045D+02  0.553035D+01  0.973954D+01  0.935843D+01
      2  -0.391439D+02 -0.556820D+01 -0.226760D+01 -0.523775D+00 -0.943995D+00
      3  -0.473997D+02 -0.143363D+02 -0.326276D+01 -0.921577D+01 -0.841444D+01
      4   0.417772D+02  0.216843D+02  0.293533D+01  0.167473D+02  0.105798D+02
      5   0.110375D+01  0.534040D+00  0.117549D+02  0.874094D+00  0.221598D+01
      6   0.260590D+01  0.279722D+00  0.396317D+01 -0.317150D-01  0.133409D+01
               231           232           233           234           235 
      1   0.444078D+00  0.121831D+02  0.258039D+01  0.805878D+01 -0.684266D+01
      2   0.109065D+01 -0.555785D+01  0.602877D+00 -0.492011D+01  0.720550D+01
      3  -0.153473D+01 -0.662523D+01 -0.318327D+01 -0.313867D+01 -0.362831D+00
      4   0.283931D+01  0.702094D+01  0.561042D+01  0.636000D+01 -0.226945D+00
      5   0.218276D+01  0.121997D+02  0.472481D+01  0.193757D+01  0.499767D+01
      6   0.193970D+01  0.419253D+01  0.283838D+01  0.631703D+00  0.361386D+01
               236           237           238           239           240 
      1   0.157396D+02  0.817078D+01  0.153453D+02 -0.236989D+02 -0.752154D+01
      2  -0.159660D+02 -0.589246D+01 -0.106243D+02  0.306393D+02  0.917742D+01
      3   0.226455D+00 -0.227831D+01 -0.472101D+01 -0.694043D+01 -0.165588D+01
      4  -0.867804D+01  0.666080D+00  0.153227D+01  0.225244D+02  0.614701D+01
      5  -0.148700D+01 -0.492007D+01 -0.241796D+01  0.781011D+01  0.835366D+01
      6  -0.300585D+01 -0.457128D+01 -0.183492D+01  0.744975D+01  0.721211D+01
               241           242           243 
      1   0.948098D+01 -0.852658D+01 -0.117528D+02
      2  -0.512550D+01  0.115545D+02  0.779163D+01
      3  -0.435548D+01 -0.302795D+01  0.396118D+01
      4   0.340615D+01  0.113351D+02  0.725323D+01
      5  -0.146982D+01  0.938563D+01  0.510078D+01
      6  -0.220680D+01  0.963416D+01  0.608846D+01
 Leave Link  716 at Thu Aug 12 22:31:20 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.162822D+03 -0.630725D+01  0.726852D+01
      2  -0.630725D+01  0.117784D+03 -0.407650D+01
      3   0.726852D+01 -0.407650D+01  0.102486D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.424646D+01 -0.394189D+01 -0.855589D+01
      2   0.434287D+02 -0.161807D+02 -0.292903D+02
      3   0.414353D+00  0.214859D+02  0.129658D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.447510D+02 -0.182017D+02  0.409759D+02
      2  -0.102821D+02  0.190742D+02 -0.139430D+02
      3  -0.344690D+02 -0.872541D+00 -0.270328D+02
      4   0.411829D+01 -0.380724D+02 -0.379902D+02
      5   0.333206D+02 -0.374983D+02 -0.762237D+02
      6  -0.162240D+02  0.158155D+01  0.229201D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.150533D+01 -0.385460D+00 -0.459289D+01  0.605083D+00  0.553066D+00
      2  -0.385460D+00  0.462341D+00  0.255852D+01  0.553066D+00 -0.312885D+01
      3  -0.459289D+01  0.255852D+01  0.165850D+01  0.240024D+01  0.313842D+01
                 6             7             8             9            10 
      1   0.240024D+01 -0.568607D+01  0.271708D+01  0.175548D+01 -0.147644D+02
      2   0.313842D+01  0.271708D+01  0.334833D+01 -0.183320D+01  0.270601D+01
      3  -0.897705D+00  0.175548D+01 -0.183320D+01 -0.218364D+01  0.503070D+01
                11            12            13            14            15 
      1   0.270601D+01  0.503070D+01  0.867220D+01 -0.284462D+01 -0.255334D+01
      2  -0.193071D+01 -0.239221D+01 -0.284462D+01  0.417872D+01 -0.318054D+01
      3  -0.239221D+01 -0.106187D+01 -0.255334D+01 -0.318054D+01  0.162752D+01
                16            17            18            19            20 
      1   0.179347D+02 -0.400352D+01 -0.316498D+01  0.324561D+02 -0.462559D+01
      2  -0.400352D+01 -0.277897D+01  0.196522D+01 -0.462559D+01  0.275257D+01
      3  -0.316498D+01  0.196522D+01  0.633868D+00 -0.832334D+00  0.819375D+00
                21            22            23            24            25 
      1  -0.832334D+00 -0.110331D+02  0.400293D+01  0.154439D+01 -0.605837D+01
      2   0.819375D+00  0.400293D+01  0.191134D+01 -0.195887D+01  0.210008D+01
      3   0.221350D+01  0.154439D+01 -0.195887D+01 -0.232057D+01  0.580262D+01
                26            27            28            29            30 
      1   0.210008D+01  0.580262D+01 -0.483483D+02  0.591215D+01 -0.457210D+01
      2  -0.234405D+01 -0.250574D+01  0.591215D+01 -0.254174D+01  0.417576D-01
      3  -0.250574D+01  0.488634D+01 -0.457210D+01  0.417576D-01 -0.266777D+01
                31            32            33            34            35 
      1   0.144061D+02 -0.541573D+01  0.127841D+01 -0.146993D+02  0.335313D+00
      2  -0.541573D+01 -0.177662D+01  0.137037D+01  0.335313D+00  0.148374D+01
      3   0.127841D+01  0.137037D+01  0.118406D+01 -0.662946D+01  0.694462D+00
                36            37            38            39            40 
      1  -0.662946D+01  0.487626D+02 -0.744239D+01  0.757468D+01 -0.100764D+02
      2   0.694462D+00 -0.744239D+01  0.156614D+01 -0.495543D+00  0.405014D+01
      3  -0.521057D+01  0.757468D+01 -0.495543D+00  0.315225D+01 -0.381161D+00
                41            42            43            44            45 
      1   0.405014D+01 -0.381161D+00  0.157739D+02 -0.132913D+01  0.597256D+01
      2   0.200300D+01 -0.197896D+01 -0.132913D+01 -0.195163D+01 -0.828331D+00
      3  -0.197896D+01 -0.148368D+01  0.597256D+01 -0.828331D+00  0.304384D+01
                46            47            48            49            50 
      1  -0.357312D+02  0.701331D+01 -0.811334D+01  0.571663D+01 -0.343198D+01
      2   0.701331D+01 -0.165577D+01  0.214281D+01 -0.343198D+01 -0.125566D+01
      3  -0.811334D+01  0.214281D+01 -0.175764D+01  0.268911D+01  0.253005D-01
                51            52            53            54            55 
      1   0.268911D+01 -0.113025D+02  0.324189D+01 -0.307583D+01  0.282084D+02
      2   0.253005D-01  0.324189D+01  0.223197D+00  0.851881D+00 -0.631768D+01
      3   0.114494D+01 -0.307583D+01  0.851881D+00 -0.138719D+01  0.595250D+01
                56            57            58            59            60 
      1  -0.631768D+01  0.595250D+01 -0.183712D+02  0.672158D+01 -0.403790D+01
      2   0.291159D+01 -0.143551D+01  0.672158D+01 -0.548719D+01  0.221986D+01
      3  -0.143551D+01  0.251278D+01 -0.403790D+01  0.221986D+01 -0.212894D+01
                61            62            63            64            65 
      1   0.124518D+02 -0.228063D+01  0.653737D+01  0.236165D+01 -0.269441D+00
      2  -0.228063D+01  0.130736D+01 -0.271361D+01 -0.269441D+00  0.130541D+01
      3   0.653737D+01 -0.271361D+01  0.462074D+01 -0.428796D+01  0.260554D+01
                66            67            68            69            70 
      1  -0.428796D+01  0.256197D-01  0.223371D+01  0.242160D+01 -0.712889D+01
      2   0.260554D+01  0.223371D+01 -0.114333D+01  0.444919D+01  0.257256D+01
      3   0.915947D+00  0.242160D+01  0.444919D+01 -0.977541D+00  0.263101D+01
                71            72            73            74            75 
      1   0.257256D+01  0.263101D+01  0.554015D+01  0.206252D+01 -0.333113D+01
      2   0.417087D+01 -0.144253D+01  0.206252D+01  0.598427D+00 -0.163371D+01
      3  -0.144253D+01  0.103857D+01 -0.333113D+01 -0.163371D+01 -0.212095D+01
                76            77            78            79            80 
      1   0.332248D+01 -0.442886D-01 -0.197046D+01 -0.406182D+01 -0.103379D+01
      2  -0.442886D-01 -0.483006D+01  0.309911D+01 -0.103379D+01  0.270185D+01
      3  -0.197046D+01  0.309911D+01  0.987796D+00 -0.216517D+01  0.115180D+01
                81            82            83            84            85 
      1  -0.216517D+01  0.198865D+00  0.146813D+01  0.998352D+00  0.891299D+00
      2   0.115180D+01  0.146813D+01 -0.230597D+01  0.263599D+01 -0.255162D+01
      3  -0.124711D+01  0.998352D+00  0.263599D+01  0.258186D+01  0.218229D+01
                86            87            88            89            90 
      1  -0.255162D+01  0.218229D+01  0.335365D+00  0.365334D+01  0.258677D+01
      2   0.108289D+00  0.142860D+01  0.365334D+01  0.159348D+01 -0.786513D+00
      3   0.142860D+01 -0.397710D+00  0.258677D+01 -0.786513D+00 -0.124976D+01
                91            92            93            94            95 
      1  -0.790649D+01 -0.194367D+01 -0.211636D+01  0.499546D+00  0.357572D+01
      2  -0.194367D+01  0.313660D+01 -0.107491D+00  0.357572D+01  0.420522D+00
      3  -0.211636D+01 -0.107491D+00  0.147703D+01 -0.225868D+00 -0.154265D+01
                96            97            98            99           100 
      1  -0.225868D+00 -0.333063D+01 -0.409655D+00  0.497421D+00 -0.840321D+01
      2  -0.154265D+01 -0.409655D+00 -0.168468D+01 -0.201876D+01 -0.279725D+01
      3  -0.135439D+01  0.497421D+00 -0.201876D+01  0.445492D+01  0.342571D+01
               101           102           103           104           105 
      1  -0.279725D+01  0.342571D+01 -0.174936D+01 -0.200306D+01  0.101185D+01
      2  -0.237653D+01  0.128285D+01 -0.200306D+01 -0.151178D+01  0.787429D+00
      3   0.128285D+01 -0.212139D+01  0.101185D+01  0.787429D+00 -0.869985D+00
               106           107           108           109           110 
      1   0.160156D+01  0.980666D+00 -0.177809D+01  0.160731D+01 -0.426551D+00
      2   0.980666D+00  0.484709D+00 -0.107270D+01 -0.426551D+00  0.951805D+00
      3  -0.177809D+01 -0.107270D+01  0.208284D+01  0.165249D+01 -0.127807D+00
               111           112           113           114           115 
      1   0.165249D+01  0.180757D+00  0.289912D+00  0.906589D-01  0.944709D+00
      2  -0.127807D+00  0.289912D+00  0.160645D-01  0.677510D+00 -0.641324D-01
      3   0.291470D+01  0.906589D-01  0.677510D+00 -0.349472D+00  0.139299D+01
               116           117           118           119           120 
      1  -0.641324D-01  0.139299D+01 -0.419359D+01  0.103327D+01 -0.178228D+01
      2   0.113308D+01 -0.979349D+00  0.103327D+01 -0.551239D+00  0.202313D+00
      3  -0.979349D+00  0.631947D+01 -0.178228D+01  0.202313D+00 -0.171145D+01
               121           122           123           124           125 
      1   0.467005D+01 -0.983895D+00  0.368520D+00 -0.288019D+01 -0.485917D-01
      2  -0.983895D+00  0.413887D+00 -0.123172D+01 -0.485917D-01 -0.951114D+00
      3   0.368520D+00 -0.123172D+01  0.141142D+01 -0.313793D+01  0.117557D+01
               126           127           128           129           130 
      1  -0.313793D+01  0.305310D+01 -0.180675D+01 -0.371667D+00 -0.121369D+01
      2   0.117557D+01 -0.180675D+01  0.331585D+01 -0.126166D+00  0.200968D+01
      3  -0.906575D+01 -0.371667D+00 -0.126166D+00  0.416461D+00 -0.161328D+00
               131           132           133           134           135 
      1   0.200968D+01 -0.161328D+00  0.388941D+00 -0.483674D+00  0.802642D-01
      2  -0.565081D+01 -0.204266D+00 -0.483674D+00  0.638921D+00 -0.902259D+00
      3  -0.204266D+00 -0.709756D+00  0.802642D-01 -0.902259D+00  0.290635D+00
               136           137           138           139           140 
      1  -0.379946D+01 -0.244956D+01 -0.174553D+01 -0.155771D+01 -0.179704D+01
      2  -0.244956D+01 -0.235129D+01 -0.157550D+01 -0.179704D+01 -0.352441D+01
      3  -0.174553D+01 -0.157550D+01 -0.211470D+01 -0.114349D+01 -0.196482D+01
               141           142           143           144           145 
      1  -0.114349D+01 -0.210875D+01 -0.177596D+01 -0.192824D+01  0.614379D+00
      2  -0.196482D+01 -0.177596D+01 -0.258815D+01 -0.206118D+01  0.112253D+01
      3  -0.143549D+01 -0.192824D+01 -0.206118D+01 -0.295022D+01  0.102337D-01
               146           147           148           149           150 
      1   0.112253D+01  0.102337D-01  0.855053D+00  0.286035D+00 -0.286317D+00
      2   0.644976D+00 -0.424173D+00  0.286035D+00  0.783404D+01 -0.163607D+01
      3  -0.424173D+00 -0.505363D-01 -0.286317D+00 -0.163607D+01  0.150904D+01
               151           152           153           154           155 
      1  -0.365363D+00 -0.315129D+00 -0.961288D-02  0.592861D+01 -0.275374D+00
      2  -0.315129D+00 -0.362232D+01  0.167708D+01 -0.275374D+00  0.140398D+01
      3  -0.961288D-02  0.167708D+01 -0.147533D+01  0.192115D+01  0.332992D+00
               156           157           158           159           160 
      1   0.192115D+01 -0.125371D+01  0.910459D+00 -0.110695D+00  0.154507D+01
      2   0.332992D+00  0.910459D+00 -0.220963D+00 -0.112895D+00  0.236995D+00
      3   0.186104D+01 -0.110695D+00 -0.112895D+00 -0.392586D+00  0.158910D+01
               161           162           163           164           165 
      1   0.236995D+00  0.158910D+01 -0.421531D+01  0.184403D+01  0.313253D+01
      2   0.144147D+00  0.407108D+00  0.184403D+01 -0.217439D+01 -0.177846D+01
      3   0.407108D+00  0.241190D+01  0.313253D+01 -0.177846D+01 -0.311231D+01
               166           167           168           169           170 
      1   0.631031D+00 -0.133338D+01 -0.984931D+00  0.283093D+01 -0.153991D+01
      2  -0.133338D+01  0.195117D+01  0.116282D+01 -0.153991D+01  0.165867D+01
      3  -0.984931D+00  0.116282D+01  0.111804D+01 -0.298953D+01  0.244125D+01
               171           172           173           174           175 
      1  -0.298953D+01 -0.750731D+01  0.193066D+01  0.246262D+01  0.180408D+01
      2   0.244125D+01  0.193066D+01 -0.133322D+01 -0.785988D+00 -0.193383D+01
      3   0.511309D+01  0.246262D+01 -0.785988D+00 -0.166542D+01 -0.698281D+00
               176           177           178           179           180 
      1  -0.193383D+01 -0.698281D+00  0.593977D+01 -0.161234D+01 -0.257055D+01
      2   0.130557D+01  0.241559D+00 -0.161234D+01  0.931306D+00  0.929110D+00
      3   0.241559D+00  0.629454D+00 -0.257055D+01  0.929110D+00  0.243748D+01
               181           182           183           184           185 
      1  -0.265810D+01 -0.145080D+01 -0.108636D+01 -0.304405D+01 -0.168914D+01
      2  -0.145080D+01 -0.109817D+01 -0.970586D+00 -0.168914D+01 -0.319522D+01
      3  -0.108636D+01 -0.970586D+00 -0.121604D+01 -0.171384D+01 -0.207122D+01
               186           187           188           189           190 
      1  -0.171384D+01 -0.144615D+01 -0.105916D+01 -0.205789D+01 -0.205299D+00
      2  -0.207122D+01 -0.105916D+01 -0.191375D+01 -0.132439D+01  0.794820D+00
      3  -0.196193D+01 -0.205789D+01 -0.132439D+01 -0.290902D+01 -0.259730D+00
               191           192           193           194           195 
      1   0.794820D+00 -0.259730D+00  0.177650D+01 -0.154905D+01  0.662844D+00
      2   0.258529D+00 -0.334462D+00 -0.154905D+01  0.528273D+01 -0.316370D+01
      3  -0.334462D+00  0.207670D+00  0.662844D+00 -0.316370D+01  0.264727D+01
               196           197           198           199           200 
      1  -0.690183D+00  0.606035D+00 -0.126478D+01 -0.482632D+00  0.132677D+01
      2   0.606035D+00 -0.317725D+01  0.273227D+01  0.132677D+01  0.887435D+00
      3  -0.126478D+01  0.273227D+01 -0.362914D+01 -0.751473D+00 -0.296826D+00
               201           202           203           204           205 
      1  -0.751473D+00  0.131526D+01  0.111712D+01 -0.210845D+00 -0.191347D+01
      2  -0.296826D+00  0.111712D+01  0.537685D+01 -0.183370D+01  0.149637D+00
      3  -0.380096D-01 -0.210845D+00 -0.183370D+01  0.145727D+01  0.736951D+00
               206           207           208           209           210 
      1   0.149637D+00  0.736951D+00  0.346846D+00 -0.115093D+01  0.507594D+00
      2  -0.165683D+01  0.107108D+01 -0.115093D+01 -0.267113D+00  0.217654D-01
      3   0.107108D+01 -0.673386D+00  0.507594D+00  0.217654D-01  0.843405D-01
               211           212           213           214           215 
      1  -0.191799D+01 -0.592486D+00 -0.228210D-01  0.755703D+00 -0.141327D+00
      2  -0.592486D+00 -0.596619D+01  0.144787D+01 -0.141327D+00  0.184272D+01
      3  -0.228210D-01  0.144787D+01 -0.120794D+01 -0.215243D+00 -0.969776D+00
               216           217           218           219           220 
      1  -0.215243D+00  0.131769D+01  0.342235D+00 -0.585182D+00  0.934666D+00
      2  -0.969776D+00  0.342235D+00 -0.799025D+00  0.131647D+00 -0.585689D-01
      3   0.687687D+00 -0.585182D+00  0.131647D+00 -0.503926D+00  0.220397D-01
               221           222           223           224           225 
      1  -0.585689D-01  0.220397D-01 -0.184870D+01 -0.869292D+00  0.748035D+00
      2   0.105998D+01 -0.102933D+01 -0.869292D+00 -0.198273D+01  0.199842D+01
      3  -0.102933D+01  0.100109D+01  0.748035D+00  0.199842D+01 -0.731761D+01
               226           227           228           229           230 
      1   0.100734D+02  0.280137D+01  0.654349D+00  0.157324D+01  0.126582D+01
      2   0.280137D+01  0.176574D+01  0.166952D+00  0.126582D+01  0.873216D+00
      3   0.654349D+00  0.166952D+00  0.117059D+01  0.185663D+00  0.392604D+00
               231           232           233           234           235 
      1   0.185663D+00  0.152791D+01  0.517403D+00  0.120707D+01 -0.748350D+00
      2   0.392604D+00  0.517403D+00  0.693182D+00  0.592576D+00  0.983614D+00
      3   0.290141D+00  0.120707D+01  0.592576D+00  0.139054D+00  0.110542D+01
               236           237           238           239           240 
      1   0.983614D+00  0.110542D+01  0.233753D+01 -0.787479D+00 -0.356336D+00
      2  -0.257622D+01 -0.458060D+00 -0.787479D+00  0.495569D+01  0.146808D+01
      3  -0.458060D+00 -0.102463D+01 -0.356336D+00  0.146808D+01  0.147965D+01
               241           242           243 
      1   0.149009D+01 -0.144773D+00 -0.550335D+00
      2  -0.144773D+00  0.229590D+01  0.175051D+01
      3  -0.550335D+00  0.175051D+01  0.113829D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101477D+02 -0.504283D+01  0.369063D+00 -0.291124D+01 -0.124625D+02
      2   0.132778D+02 -0.268453D+01  0.554266D+01 -0.525871D+01 -0.488129D+01
      3  -0.611706D+01 -0.391711D+01 -0.569972D+01  0.423981D+01 -0.410210D+01
                 6             7             8             9            10 
      1   0.414983D+01 -0.792173D+00  0.121183D+02  0.294099D+01 -0.104170D+02
      2  -0.152847D+01  0.196896D+00 -0.864664D+00  0.181709D+01 -0.293250D+02
      3   0.100708D+02 -0.512295D+01  0.114190D+02 -0.609442D-01  0.420290D+01
                11            12            13            14            15 
      1   0.373493D+01  0.200761D+01  0.395503D+01  0.585263D+01 -0.842252D+01
      2   0.867383D+01  0.604401D+01  0.167573D+02  0.638376D+01 -0.445779D+01
      3  -0.769222D+01 -0.356024D+01  0.207374D+01  0.707266D+01 -0.114772D+02
                16            17            18            19            20 
      1   0.912494D+01  0.872578D-01  0.570695D-01  0.115901D+02 -0.477104D+01
      2   0.138885D+02 -0.496185D+01 -0.434905D+01  0.340388D+02 -0.614020D+01
      3  -0.296869D+01 -0.127991D+02  0.288015D+01 -0.411641D+01 -0.164356D+01
                21            22            23            24            25 
      1  -0.225927D+01 -0.907870D+01 -0.564780D+01  0.575318D-01 -0.107185D+02
      2   0.123721D+01 -0.154237D+02  0.599942D+01  0.386517D+01 -0.188804D+02
      3   0.121160D+01  0.107749D+02 -0.184298D+00 -0.203353D+01 -0.979927D+00
                26            27            28            29            30 
      1   0.830535D+01  0.261965D+01 -0.122360D+02  0.163295D+01  0.520915D+00
      2   0.483608D+01  0.475729D+01 -0.340227D+02  0.256078D+01 -0.780082D+01
      3   0.287001D+00 -0.224713D+01  0.458109D+01  0.299676D+01  0.295824D+01
                31            32            33            34            35 
      1   0.325774D+01  0.373703D+01 -0.239181D+01  0.343585D+01  0.221393D+01
      2   0.778238D+01 -0.309348D+01  0.189475D+01 -0.422773D+02  0.332181D+01
      3   0.181280D+02 -0.180549D+01  0.134530D+01  0.864493D+01  0.567061D+00
                36            37            38            39            40 
      1  -0.963977D+00  0.102583D+02 -0.149549D+01 -0.173364D+01 -0.822297D+01
      2  -0.114586D+02  0.399560D+02 -0.440255D+01  0.140479D+02 -0.494490D+01
      3   0.115209D+01  0.278032D+01 -0.672132D+01 -0.174332D+01  0.742667D+01
                41            42            43            44            45 
      1   0.889860D-01 -0.229389D+01 -0.340314D+01  0.117118D+01 -0.226690D+00
      2  -0.997136D+00  0.113354D+01  0.144636D+02  0.350244D+00  0.806510D+01
      3  -0.101650D+02  0.539888D+01 -0.594154D+01  0.348050D+01 -0.150333D+01
                46            47            48            49            50 
      1  -0.954321D+01 -0.105338D+01  0.792256D+01 -0.117127D+01  0.871201D+01
      2  -0.229871D+02  0.405769D+01 -0.182807D+02  0.150453D+01 -0.192087D+01
      3  -0.832111D+01  0.757513D+01  0.369717D+01  0.188209D+02  0.378723D+01
                51            52            53            54            55 
      1   0.320806D+01  0.466765D+01  0.140999D+02 -0.452734D+01  0.474477D+01
      2   0.386865D+01 -0.281302D+02 -0.143030D+01 -0.987277D+01  0.176903D+02
      3   0.271920D+01  0.120292D+01  0.633759D+01 -0.137042D+01  0.451314D+01
                56            57            58            59            60 
      1   0.150273D+01 -0.160696D+01 -0.193521D+01 -0.310744D+01 -0.441885D+01
      2  -0.404387D+01  0.185513D+02 -0.112269D+02  0.702604D+01 -0.121888D+02
      3  -0.159071D+02 -0.731030D-01 -0.790714D+01  0.173132D+02 -0.443188D+01
                61            62            63            64            65 
      1   0.140171D+01 -0.352249D+00  0.250383D+01  0.357998D+01 -0.340965D+01
      2   0.164000D+02 -0.541200D+01  0.167475D+02  0.165781D+02 -0.975458D+01
      3  -0.215676D+00 -0.882322D+01  0.466993D+01  0.247241D+01  0.273091D+01
                66            67            68            69            70 
      1  -0.361479D+01 -0.509063D+01 -0.342527D+01 -0.449968D+01 -0.597596D+01
      2  -0.579792D+01 -0.897334D+01 -0.155176D+02  0.559295D+01 -0.190076D+02
      3   0.649526D+01  0.132147D+02 -0.287366D+01  0.204304D+02  0.586336D+01
                71            72            73            74            75 
      1   0.785375D+00 -0.452120D+00 -0.141060D+00 -0.344653D+01 -0.758198D+01
      2   0.808442D+01 -0.327085D+01  0.377404D+01 -0.174812D+01  0.135497D+02
      3   0.193675D+02 -0.314245D+01  0.855781D-01 -0.525714D+01 -0.694497D-01
                76            77            78            79            80 
      1   0.132526D+00 -0.336314D+01  0.530064D+01 -0.568975D+01  0.109085D+02
      2   0.243000D+01 -0.730082D+01  0.810620D+00  0.336402D+01 -0.424121D+00
      3   0.215972D+00 -0.123696D+02  0.113349D+02 -0.141603D+00  0.107509D+02
                81            82            83            84            85 
      1   0.139490D+01  0.635750D+00  0.101744D+02  0.753332D+01  0.132412D+02
      2   0.705979D+01 -0.428061D+00 -0.189054D+01 -0.222701D+00 -0.267743D+01
      3   0.794348D+01  0.248917D+01 -0.133158D+02  0.208413D+01 -0.429926D+01
                86            87            88            89            90 
      1   0.451327D+01 -0.734229D+01  0.540684D+01 -0.163269D+01 -0.395507D+01
      2  -0.332887D+01  0.160385D+01 -0.694387D+01  0.288815D+01  0.226150D+01
      3   0.680078D+01 -0.386625D+01  0.347381D+01 -0.709184D+01 -0.955324D+01
                91            92            93            94            95 
      1   0.366100D+01 -0.302454D+01 -0.506285D+01  0.439512D+00  0.295341D+01
      2  -0.104300D+02 -0.667055D+00  0.767634D+01 -0.716959D-01 -0.396251D+01
      3  -0.133374D+01 -0.191456D+02 -0.348159D+01 -0.992799D+01  0.310304D+01
                96            97            98            99           100 
      1  -0.207409D+01  0.261853D+01  0.953760D+01 -0.784003D+01  0.122319D+01
      2  -0.283810D+01 -0.265562D+01 -0.799256D+01  0.162514D+02  0.207062D+01
      3   0.536653D+01 -0.206094D+01  0.793817D+01  0.990441D+01  0.448169D+01
               101           102           103           104           105 
      1  -0.247537D+01 -0.198244D+01 -0.609601D+00 -0.826119D+00 -0.174675D+01
      2  -0.398018D+00  0.362269D+01  0.102882D+01  0.570844D-01  0.125017D+01
      3  -0.512961D+01 -0.990645D+00 -0.509330D+00 -0.174422D+01 -0.142117D-01
               106           107           108           109           110 
      1  -0.103745D+01  0.393825D+00  0.162310D+01  0.135557D+01  0.252260D+01
      2  -0.111567D+01  0.127318D+01 -0.376147D+01 -0.730276D+01  0.991218D+00
      3  -0.105738D+01  0.618785D+00 -0.441541D+00 -0.367594D+01  0.138707D+01
               111           112           113           114           115 
      1   0.382260D+01  0.972927D+00  0.155989D+01 -0.460415D+00  0.199952D+01
      2  -0.819115D+01  0.501019D+00 -0.222821D+01  0.436239D+00 -0.813862D+01
      3  -0.281528D+01  0.196204D+01 -0.142207D+00  0.107797D+01 -0.254063D+01
               116           117           118           119           120 
      1   0.243742D+01  0.671635D+01 -0.156395D+01  0.119221D+01 -0.518849D+00
      2   0.203630D+01 -0.160307D+02 -0.408180D+01  0.128974D+01  0.523575D+00
      3   0.170136D+01 -0.460519D+01  0.893028D+00 -0.163391D+01  0.623664D+00
               121           122           123           124           125 
      1   0.238895D+01 -0.768256D+00  0.107927D+01  0.180670D+01  0.450397D+01
      2   0.552781D+01 -0.331786D+00 -0.765359D+00 -0.348373D+01 -0.792663D+00
      3   0.105175D+01  0.173736D-01 -0.105011D+01  0.485222D+00 -0.105270D+01
               126           127           128           129           130 
      1  -0.288925D+01  0.763985D+00 -0.237587D+01  0.220706D+01 -0.113312D+01
      2   0.459379D+01  0.457219D+00  0.116945D+00  0.354245D+00  0.556290D+00
      3   0.126389D+01 -0.148521D+02  0.838606D+01  0.573306D+00  0.101077D+02
               131           132           133           134           135 
      1   0.222426D+01 -0.355617D+01  0.830781D+00 -0.106217D+01  0.148901D+01
      2   0.363420D+00 -0.346757D+00 -0.125099D+01  0.824344D+00 -0.475795D+00
      3  -0.131702D+02 -0.114305D+00 -0.204095D+01  0.236210D+01 -0.176797D+01
               136           137           138           139           140 
      1  -0.265672D+01 -0.191023D+01 -0.492301D+01 -0.164389D+01 -0.213372D+01
      2  -0.105093D+01  0.756106D+00  0.303878D+01  0.254979D+00  0.138163D+01
      3   0.513203D+01 -0.123394D+00  0.153210D+01  0.265761D+01 -0.289290D+01
               141           142           143           144           145 
      1  -0.308772D+01 -0.365020D+01 -0.126765D+01 -0.615189D+01  0.128438D+01
      2   0.192943D+01 -0.143751D+00  0.193506D+01  0.317993D+01 -0.821505D+00
      3  -0.336929D+00  0.260397D+01 -0.708467D+00  0.137931D+01  0.428047D+01
               146           147           148           149           150 
      1   0.174912D+01 -0.104396D+01  0.100964D+01  0.121133D+02 -0.774954D+01
      2  -0.576963D+00  0.686958D+00 -0.503065D+00  0.797725D+00 -0.119260D+01
      3   0.239579D+01 -0.102284D+01  0.515550D+01  0.137080D+02 -0.320099D+01
               151           152           153           154           155 
      1  -0.623200D+00 -0.597890D+01  0.626185D+01 -0.452809D+01  0.264226D+01
      2  -0.804139D+00 -0.142000D+01  0.174419D+01 -0.144880D+02  0.538728D+00
      3  -0.300029D+01 -0.700897D+01  0.297988D+01  0.131527D+02 -0.795715D+00
               156           157           158           159           160 
      1  -0.347996D+01  0.186623D+01 -0.843325D+00 -0.271672D+00 -0.331259D+01
      2  -0.379264D+01  0.270777D+01 -0.146284D+01  0.673241D+00 -0.683404D+01
      3   0.435911D+01  0.163305D+00  0.135531D+01 -0.512273D+00  0.377092D+01
               161           162           163           164           165 
      1   0.980898D+00 -0.355357D+01 -0.403477D+01 -0.140216D+00  0.460408D+01
      2  -0.729834D+00 -0.497243D+01 -0.224609D-01  0.158905D+01  0.330264D+01
      3  -0.647047D+00  0.393249D+01 -0.420920D+01 -0.262012D+01  0.208491D+01
               166           167           168           169           170 
      1   0.602727D+00  0.180794D+00 -0.237832D+01  0.402270D+01 -0.891399D+00
      2  -0.435627D+00 -0.463282D+00 -0.737267D+00 -0.154918D+01 -0.229533D+01
      3   0.846495D+00  0.135910D+01 -0.268884D+00  0.420114D+01  0.790946D+00
               171           172           173           174           175 
      1  -0.742422D+01 -0.349750D+01  0.889579D+00  0.255032D+01  0.152096D+01
      2  -0.615363D+01 -0.129971D+02  0.438725D+01  0.103741D+02  0.374975D+01
      3  -0.974997D+00 -0.150236D+00 -0.564369D+01 -0.103732D+01 -0.407148D+01
               176           177           178           179           180 
      1  -0.587142D+00 -0.158528D+01  0.304209D+01  0.221094D+00 -0.288531D+01
      2  -0.192751D+01 -0.347029D+01  0.107862D+02 -0.416966D+01 -0.119940D+02
      3   0.344146D+01  0.160458D+00 -0.835102D+00  0.309370D+01  0.135335D+01
               181           182           183           184           185 
      1   0.194957D+01  0.201382D+01  0.117231D+01  0.209347D+01  0.535821D+01
      2   0.186573D+01  0.235501D+01  0.470625D+01  0.292178D+01  0.661122D+01
      3  -0.646636D+01 -0.620260D+01 -0.448358D+01 -0.592291D+01 -0.148752D+02
               186           187           188           189           190 
      1   0.155170D+01  0.204708D+01  0.420930D+01  0.227770D+01 -0.237726D+00
      2   0.685055D+01  0.433274D+01  0.434725D+01  0.929280D+01  0.142782D+01
      3  -0.890854D+01 -0.436727D+01 -0.898525D+01 -0.628511D+01  0.323777D+01
               191           192           193           194           195 
      1  -0.221736D-01  0.196028D-01 -0.458846D-01 -0.176004D+01 -0.231162D+01
      2   0.159317D+01  0.102369D-01 -0.284748D-01  0.105733D+02 -0.952989D+01
      3   0.728113D+00 -0.133505D+01 -0.135553D+01  0.177529D+02 -0.109382D+02
               196           197           198           199           200 
      1   0.899692D+00  0.155329D+01  0.243745D+01 -0.527015D-01 -0.119354D+01
      2   0.201576D+01 -0.937485D+01  0.119623D+02 -0.294986D+00  0.134266D+01
      3   0.318639D+00 -0.116797D+02  0.888869D+01  0.214000D+00 -0.296478D+00
               201           202           203           204           205 
      1  -0.407438D+00 -0.237294D+01 -0.601389D+01 -0.139551D+01 -0.485818D+01
      2  -0.472196D+00  0.185278D+01  0.990766D+00  0.501044D+00 -0.349576D+01
      3   0.283919D+00  0.300867D+01 -0.229901D+01 -0.828037D-01 -0.132349D+01
               206           207           208           209           210 
      1   0.244993D+01 -0.123515D+01  0.104507D+01  0.606524D-01 -0.993334D-01
      2   0.195902D-01  0.390676D+00  0.250686D+01 -0.327794D+00  0.298283D+00
      3   0.498397D+00 -0.903956D+00  0.339267D+01  0.158230D+01 -0.509283D+00
               211           212           213           214           215 
      1  -0.702713D+00  0.699116D+00 -0.350822D+01 -0.182443D+01  0.139009D+00
      2  -0.157443D+00  0.340499D+01 -0.246241D+01 -0.374304D+01 -0.209016D+01
      3   0.663896D+01  0.126037D+02 -0.307535D+01 -0.122425D+01 -0.388026D+01
               216           217           218           219           220 
      1   0.690577D+00  0.609944D-01 -0.336593D+00  0.126775D+01 -0.124028D+01
      2   0.928858D+00 -0.150080D+01  0.844356D+00 -0.175819D+01  0.159143D+01
      3   0.218865D+01 -0.805842D+00  0.253659D+01 -0.178987D+01  0.108835D+01
               221           222           223           224           225 
      1   0.884126D+00 -0.166771D+01 -0.153384D+01 -0.196523D+01  0.126320D+02
      2  -0.324366D+01  0.316584D+01  0.109634D+00  0.680366D+01 -0.252824D+02
      3  -0.411433D+01  0.343015D+01 -0.405279D+00  0.504715D+01 -0.684256D+01
               226           227           228           229           230 
      1  -0.239142D+01 -0.683408D+00 -0.209396D+01 -0.862834D+00 -0.832558D+00
      2   0.626403D+01  0.170864D+01  0.642383D+01  0.159027D+01  0.181449D+01
      3   0.458858D+01 -0.468472D+01  0.677366D+00 -0.134325D+00 -0.120521D+01
               231           232           233           234           235 
      1  -0.135362D+01 -0.135437D+01 -0.715469D-01 -0.357874D+00 -0.100026D+01
      2   0.144610D+01  0.345020D+01  0.180745D+01  0.111300D+01  0.348973D+01
      3  -0.118217D+01  0.374823D+00 -0.219044D+01 -0.843594D+00 -0.730412D+01
               236           237           238           239           240 
      1   0.326564D+01  0.241127D+01  0.189665D+01 -0.506576D+01 -0.408091D+01
      2  -0.221100D+01 -0.242481D+01 -0.105552D+01  0.525610D+01  0.449565D+01
      3   0.115187D+02  0.406939D+01  0.796886D+01 -0.195183D+02 -0.620560D+01
               241           242           243 
      1   0.324309D+00 -0.400164D+01 -0.322085D+01
      2  -0.196941D+01  0.657730D+01  0.382099D+01
      3   0.328624D+01 -0.939330D+01 -0.799391D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.129030D+02 -0.210678D+01  0.661295D+01 -0.409610D+01  0.121805D+01
      2   0.577967D+01 -0.545398D+01 -0.136737D+01 -0.274927D+01 -0.172171D+02
      3  -0.186827D+02  0.756077D+01 -0.524558D+01  0.684537D+01  0.159990D+02
      4  -0.131179D+01 -0.245283D+01 -0.197343D+02 -0.249197D+01  0.112561D+02
      5   0.134750D+02 -0.113559D+02 -0.162398D+02 -0.981259D+01 -0.796517D+01
      6  -0.140682D+02  0.117184D+02  0.102775D+02  0.707094D+01  0.121732D+02
                 6             7             8             9            10 
      1  -0.158543D+02  0.645583D+01 -0.177798D+02 -0.104406D+01 -0.131604D+02
      2   0.209775D+02 -0.165893D+01  0.268205D+02  0.224878D+01  0.525137D+01
      3  -0.512315D+01 -0.479690D+01 -0.904074D+01 -0.120472D+01  0.790898D+01
      4  -0.294516D+01 -0.222783D+02 -0.473703D+00  0.121552D+02  0.178220D+01
      5   0.822838D+01 -0.179785D+02  0.123436D+02  0.122431D+02 -0.240276D+02
      6   0.335313D+00  0.111543D+02 -0.333890D+01 -0.727376D+01  0.772808D+01
                11            12            13            14            15 
      1   0.310860D+01 -0.181485D+02  0.689216D+01  0.100418D+02  0.120883D+02
      2  -0.126140D+01  0.460818D+01 -0.333127D+01  0.532582D+00 -0.646439D+01
      3  -0.184719D+01  0.135403D+02 -0.356089D+01 -0.105744D+02 -0.562395D+01
      4   0.603109D+01  0.124528D+02  0.782191D+01 -0.221521D+02  0.123066D+02
      5   0.983612D+01  0.289872D+01  0.990577D+01  0.173700D+02 -0.660947D+01
      6  -0.733729D+01 -0.278472D+01  0.134334D+00  0.121065D+01 -0.606530D+01
                16            17            18            19            20 
      1  -0.201144D+02  0.155513D+02 -0.100705D+01  0.250510D+02  0.347484D+01
      2   0.248737D+01 -0.133322D+02 -0.339625D+01 -0.808041D+01 -0.565244D+01
      3   0.176271D+02 -0.221906D+01  0.440330D+01 -0.169706D+02  0.217760D+01
      4   0.159879D+02  0.988444D+01 -0.761814D+01  0.121545D+00 -0.405108D+01
      5   0.113189D+02 -0.889019D+01  0.679468D-01  0.275007D+01 -0.111259D+01
      6  -0.618494D+01 -0.183575D+01  0.199534D+01 -0.312040D+01  0.236306D+01
                21            22            23            24            25 
      1   0.617965D+01  0.446044D+01 -0.322188D+01 -0.745415D+01  0.209819D+02
      2   0.419042D+01 -0.488623D+01 -0.633036D+01 -0.137019D+00  0.637757D+01
      3  -0.103701D+02  0.425791D+00  0.955225D+01  0.759116D+01 -0.273594D+02
      4  -0.282125D+01 -0.865459D+01 -0.317833D+01  0.297214D+01 -0.932035D+01
      5  -0.373061D+01 -0.301218D+01  0.569891D+00  0.574969D+01 -0.132523D+02
      6   0.302764D+01 -0.333927D+00 -0.497533D+01  0.256319D+01  0.321721D+01
                26            27            28            29            30 
      1  -0.957827D+01  0.183846D+02 -0.999182D+02  0.980900D+01 -0.129010D+02
      2   0.454852D+01  0.927301D+01  0.398390D+02 -0.565006D+01  0.418913D+01
      3   0.502975D+01 -0.276576D+02  0.600792D+02 -0.415895D+01  0.871186D+01
      4   0.474126D+01  0.749505D+01  0.164102D+02 -0.100977D+02  0.119219D+01
      5   0.908106D+01 -0.158379D+02 -0.641616D+01 -0.592798D+00 -0.914802D+01
      6   0.433133D+00 -0.561594D+00  0.723099D+01  0.218586D+01  0.164842D+01
                31            32            33            34            35 
      1   0.390857D+02 -0.570039D+01  0.238098D+01 -0.409332D+02 -0.111215D+01
      2  -0.186855D+02  0.322507D+01 -0.370386D-01  0.104959D+02  0.315347D+01
      3  -0.204002D+02  0.247533D+01 -0.234394D+01  0.304373D+02 -0.204133D+01
      4  -0.114856D+02 -0.203591D+01  0.149365D+01  0.907014D+01 -0.301638D+01
      5   0.767106D+01  0.300715D+01  0.134128D+01 -0.830028D+01 -0.187761D+01
      6   0.129805D+01  0.913414D+01 -0.117809D+01 -0.728571D-01  0.299778D+01
                36            37            38            39            40 
      1  -0.289634D+02  0.148426D+03 -0.223315D+02  0.299989D+02 -0.165214D+02
      2  -0.404467D+00 -0.651572D+02  0.939467D+01 -0.107569D+02  0.343831D+01
      3   0.293678D+02 -0.832690D+02  0.129369D+02 -0.192420D+02  0.130831D+02
      4   0.248260D+01 -0.431486D+02  0.139879D+02 -0.594134D+01  0.150979D+02
      5  -0.141765D+02  0.254916D+02 -0.193985D+01  0.203212D+02  0.436694D+01
      6   0.546471D+01 -0.108234D+02 -0.623177D+00 -0.439478D+01 -0.165037D+01
                41            42            43            44            45 
      1   0.100314D+02 -0.814428D+01  0.393683D+02 -0.927283D+01  0.106308D+02
      2  -0.855177D+01  0.277056D+01 -0.175160D+02  0.776382D+01 -0.799430D+01
      3  -0.147966D+01  0.537371D+01 -0.218523D+02  0.150902D+01 -0.263654D+01
      4   0.853868D+01 -0.585305D+01 -0.640655D+01 -0.644300D+01 -0.402098D+01
      5  -0.799164D+01 -0.166987D+01  0.284224D+02 -0.442937D+01  0.763862D+01
      6   0.552834D+01  0.385089D+01 -0.921611D+01  0.581862D+01 -0.150350D+00
                46            47            48            49            50 
      1  -0.134755D+03  0.332546D+02 -0.265831D+02  0.389020D+02 -0.215767D+02
      2   0.621582D+02 -0.154572D+02  0.158425D+02 -0.252318D+02  0.546386D+01
      3   0.725966D+02 -0.177975D+02  0.107406D+02 -0.136702D+02  0.161129D+02
      4   0.596529D+02 -0.308967D+02  0.164240D+02 -0.328143D+02 -0.727772D+01
      5  -0.443574D+02  0.126326D+02 -0.262360D+02  0.222491D+02 -0.137138D+01
      6   0.168755D+02 -0.638994D+01  0.308817D+01  0.565264D+00  0.416675D+01
                51            52            53            54            55 
      1   0.132680D+02 -0.520038D+02  0.142139D+02 -0.181592D+02  0.145017D+03
      2  -0.119075D+02  0.255536D+02 -0.425013D+01  0.635202D+01 -0.714783D+02
      3  -0.136050D+01  0.264503D+02 -0.996377D+01  0.118072D+02 -0.735387D+02
      4  -0.112755D+01  0.308533D+02 -0.452631D+01  0.708920D+01 -0.607202D+02
      5   0.517193D+01 -0.164099D+02  0.498136D+01 -0.154063D+02  0.390750D+02
      6  -0.517997D+01  0.151197D+01  0.659080D+00  0.597015D+01 -0.845459D+01
                56            57            58            59            60 
      1  -0.370909D+02  0.276675D+02 -0.776829D+02  0.275885D+02 -0.132385D+02
      2   0.142633D+02 -0.177848D+02  0.313973D+02 -0.265947D+01  0.822359D+01
      3   0.228275D+02 -0.988271D+01  0.462855D+02 -0.249290D+02  0.501494D+01
      4   0.388849D+02 -0.129472D+02  0.634076D+02 -0.471953D+02  0.171038D+02
      5  -0.110753D+02  0.315390D+02 -0.239587D+02  0.146313D+02 -0.172510D+02
      6   0.432535D+01 -0.572812D+01  0.100225D+02 -0.648573D+01  0.117066D+02
                61            62            63            64            65 
      1   0.499234D+02 -0.756012D+01  0.249141D+02 -0.106690D+02  0.131228D+01
      2  -0.295181D+02  0.550797D+01 -0.215437D+02  0.376415D+01  0.196190D+01
      3  -0.204053D+02  0.205215D+01 -0.337042D+01  0.690487D+01 -0.327418D+01
      4  -0.215294D+02  0.135655D+02 -0.209479D+02  0.809972D+00 -0.829391D+01
      5   0.501696D+02 -0.196614D+02  0.366871D+02  0.325145D+02 -0.195711D+02
      6  -0.973033D+01  0.109407D+02 -0.948643D+01 -0.100274D+02  0.268596D+01
                66            67            68            69            70 
      1   0.276153D+02 -0.259305D+01 -0.505859D+01 -0.265019D+02  0.395914D+02
      2  -0.109670D+02  0.530860D+01  0.493692D+01  0.182934D+02 -0.156062D+02
      3  -0.166483D+02 -0.271556D+01  0.121666D+00  0.820850D+01 -0.239853D+02
      4  -0.218030D+02 -0.151253D+02  0.589168D+01 -0.258343D+02 -0.236740D+02
      5  -0.746326D+01 -0.185621D+02 -0.283122D+02  0.397894D+01 -0.181466D+02
      6  -0.306011D+00 -0.156005D+01  0.965238D+01 -0.108475D+02  0.248690D+01
                71            72            73            74            75 
      1  -0.288513D+02 -0.100475D+02 -0.165690D+02 -0.120721D+02  0.203207D+02
      2   0.199449D+02  0.455473D+01  0.100611D+02  0.623297D+01  0.277161D+01
      3   0.890641D+01  0.549276D+01  0.650792D+01  0.583910D+01 -0.230923D+02
      4  -0.236379D+02  0.826324D+01 -0.213880D+02 -0.902497D+01  0.130740D+02
      5   0.714772D+01 -0.548682D+01  0.227736D+02  0.123016D+02 -0.225410D+01
      6  -0.117058D+02  0.256237D+01  0.107283D+02  0.856294D+01  0.312771D+01
                76            77            78            79            80 
      1  -0.129033D+02 -0.875309D+01  0.125243D+02  0.139244D+02  0.778838D+01
      2   0.940500D+01  0.255648D+01 -0.129134D+02  0.336138D+01 -0.680681D+01
      3   0.349834D+01  0.619660D+01  0.389101D+00 -0.172858D+02 -0.981571D+00
      4  -0.565246D+01  0.208076D+02 -0.855002D+01  0.886410D+01 -0.416965D+01
      5   0.141509D+02 -0.153314D+02 -0.596352D+01  0.140624D+01 -0.427994D+01
      6   0.194406D+01 -0.122603D+02  0.252989D+01  0.464188D+01 -0.642017D+00
                81            82            83            84            85 
      1   0.135788D+02  0.419835D+01 -0.114577D+02  0.429168D+01 -0.918869D+01
      2  -0.296656D+01 -0.715907D+01  0.170669D+02 -0.114679D+02  0.121676D+02
      3  -0.106122D+02  0.296072D+01 -0.560911D+01  0.717619D+01 -0.297896D+01
      4   0.924673D-01 -0.467489D+01 -0.503949D+01 -0.114821D+02 -0.303807D+00
      5  -0.673629D+00 -0.630307D+01 -0.122331D+02 -0.104821D+02 -0.115715D+02
      6   0.304770D+01 -0.560895D+01 -0.131558D+02 -0.125322D+02 -0.871992D+01
                86            87            88            89            90 
      1   0.396090D+01 -0.342195D+01  0.875817D+01 -0.420603D+01 -0.120784D+02
      2  -0.154148D+01 -0.311284D+00 -0.169080D+02 -0.244039D+01  0.839713D+01
      3  -0.241942D+01  0.373324D+01  0.814984D+01  0.664642D+01  0.368123D+01
      4   0.620268D+01 -0.947034D+01 -0.119074D+02 -0.154876D+02 -0.755812D+01
      5  -0.411009D+01  0.745643D+00 -0.126775D+02 -0.199694D+01  0.224180D+01
      6  -0.131739D+01 -0.192317D+01 -0.133438D+02 -0.104368D+01  0.666112D+00
                91            92            93            94            95 
      1  -0.544399D+02 -0.273693D+02 -0.136265D+02 -0.126137D+02  0.202679D+02
      2   0.223111D+02  0.221411D+02  0.106351D+02  0.137716D+02 -0.905589D+01
      3   0.321288D+02  0.522825D+01  0.299134D+01 -0.115786D+01 -0.112120D+02
      4  -0.241301D+02  0.139538D+02 -0.527239D+01  0.196812D+02  0.115073D+02
      5  -0.118687D+02 -0.216107D+01  0.111258D+02 -0.355668D+01 -0.105599D+02
      6  -0.571486D+01  0.107625D+01  0.588421D+01 -0.108882D+01 -0.943292D+01
                96            97            98            99           100 
      1   0.264561D+01 -0.214763D+02  0.556063D+00  0.187703D+02  0.474119D+02
      2  -0.740556D+01  0.112868D+02 -0.108120D+02 -0.391200D+01 -0.248101D+02
      3   0.475995D+01  0.101895D+02  0.102560D+02 -0.148583D+02 -0.226018D+02
      4  -0.858686D+01 -0.810521D+01 -0.890611D+01 -0.978900D+01  0.335456D+02
      5  -0.627672D+01  0.480151D+01 -0.117354D+02  0.289635D+02 -0.327453D+02
      6  -0.125889D+01  0.224637D+01 -0.696133D+01  0.133770D+02 -0.130055D+02
               101           102           103           104           105 
      1   0.110374D+02 -0.143199D+02  0.895833D+01  0.630576D+01 -0.257902D+01
      2  -0.240133D+01  0.967305D+01 -0.129304D+01  0.204017D+01  0.147337D+01
      3  -0.863611D+01  0.464686D+01 -0.766529D+01 -0.834592D+01  0.110565D+01
      4   0.212588D+02 -0.137672D+02  0.183475D+02  0.135967D+02 -0.744952D+01
      5  -0.117140D+02  0.198436D+02 -0.898043D+01 -0.741918D+01  0.636708D+01
      6  -0.877909D+01  0.806419D+01 -0.770221D+01 -0.520393D+01  0.582516D+01
               106           107           108           109           110 
      1  -0.101852D+02 -0.256867D+01  0.442701D+01 -0.579868D+01  0.515428D+01
      2   0.743581D+01  0.273417D+01 -0.676183D+01 -0.155687D+01 -0.342921D+01
      3   0.274941D+01 -0.165501D+00  0.233481D+01  0.735555D+01 -0.172506D+01
      4  -0.962456D+01 -0.557273D+01  0.934772D+01 -0.306960D+00 -0.987155D+00
      5   0.170945D+02  0.763013D+01 -0.145299D+02 -0.831681D+00 -0.130799D+01
      6   0.705509D+01  0.520747D+01 -0.761674D+01 -0.467370D+01  0.312882D+01
               111           112           113           114           115 
      1  -0.148015D+02  0.197775D+01 -0.485501D+01  0.101762D+01 -0.100346D+02
      2  -0.220304D+01 -0.170653D+01  0.908603D+00 -0.149357D+01  0.822032D+00
      3   0.170046D+02 -0.271218D+00  0.394641D+01  0.475952D+00  0.921254D+01
      4  -0.314542D+01  0.115954D+01 -0.159263D+01 -0.131080D+01 -0.260728D+01
      5  -0.174977D+01 -0.127096D+01  0.279815D+00  0.779211D+00  0.185355D+01
      6  -0.724036D+01  0.183014D+01 -0.198814D+01  0.684616D+01 -0.229912D+01
               116           117           118           119           120 
      1   0.437875D+01 -0.252850D+02 -0.972405D+00  0.157808D+00 -0.930571D+00
      2  -0.113747D+01 -0.898438D+01 -0.664775D+01  0.586008D+00 -0.489787D+01
      3  -0.324128D+01  0.342694D+02  0.762016D+01 -0.743816D+00  0.582844D+01
      4  -0.350503D+01  0.117911D+01 -0.105150D+01  0.357221D+01 -0.529719D+00
      5   0.307931D+01 -0.140297D+02  0.799603D+01 -0.181711D+01  0.121286D+02
      6   0.727497D+01 -0.155933D+02 -0.616256D+00  0.879064D+00 -0.598025D-02
               121           122           123           124           125 
      1   0.458247D+01 -0.503599D+01  0.348972D+01 -0.660499D+01  0.165251D+01
      2  -0.142195D+01 -0.162763D+00  0.311917D+01 -0.662541D+01  0.341371D+01
      3  -0.316052D+01  0.519875D+01 -0.660889D+01  0.132304D+02 -0.506623D+01
      4   0.273386D+01 -0.100297D+01  0.330767D+01  0.807425D+00  0.275636D+01
      5  -0.235425D+01  0.396032D+01 -0.314405D+01  0.160586D+02 -0.350871D+01
      6   0.167598D+01 -0.128855D+01  0.727546D+01  0.529580D+00  0.546223D+01
               126           127           128           129           130 
      1  -0.270056D+02 -0.841689D+01  0.158129D+02  0.286476D+00  0.977938D+01
      2  -0.208849D+02  0.118057D+02 -0.222294D+02  0.887023D+00 -0.136623D+02
      3   0.478905D+02 -0.338881D+01  0.641649D+01 -0.117350D+01  0.388295D+01
      4  -0.210913D+01 -0.698351D+01  0.425389D+01  0.178589D+01  0.581127D+01
      5   0.247256D+02 -0.376426D+00  0.153326D+01  0.131732D+01  0.170461D+01
      6  -0.268084D+00  0.162588D+00  0.632511D+00 -0.257407D+01  0.487374D+00
               131           132           133           134           135 
      1  -0.251238D+02 -0.216276D+00 -0.212494D+01  0.342372D+01 -0.388930D+01
      2   0.376907D+02  0.298112D+00  0.306061D+01 -0.446794D+01  0.397427D+01
      3  -0.125668D+02 -0.818364D-01 -0.935670D+00  0.104422D+01 -0.849761D-01
      4  -0.269235D+00  0.968373D+00  0.252571D+00  0.787636D+00  0.481315D+00
      5   0.897751D-01  0.675947D+00  0.244954D+01  0.130815D+01 -0.705446D+00
      6   0.449020D+00  0.580140D+01 -0.109673D+01  0.688333D+01 -0.180501D+01
               136           137           138           139           140 
      1   0.893264D+01  0.122389D+01  0.186255D+01  0.150930D+01 -0.673995D+01
      2   0.173339D+01  0.630310D+01  0.191272D+01  0.462190D+01  0.158764D+02
      3  -0.106660D+02 -0.752700D+01 -0.377527D+01 -0.613120D+01 -0.913645D+01
      4   0.216986D+02  0.194454D+02  0.116285D+02  0.150495D+02  0.194532D+02
      5   0.130730D+02  0.944472D+01  0.124656D+02  0.685445D+01  0.972504D+01
      6   0.102890D+02  0.101241D+02  0.108935D+02  0.771801D+01  0.135180D+02
               141           142           143           144           145 
      1  -0.351035D+01  0.515660D+00 -0.522308D+01 -0.327041D+01 -0.357937D+01
      2   0.704043D+01  0.232084D+01  0.835491D+01  0.145413D+01  0.498502D+01
      3  -0.353009D+01 -0.283650D+01 -0.313182D+01  0.181629D+01 -0.140565D+01
      4   0.107669D+02  0.123385D+02  0.140143D+02  0.134231D+02 -0.135817D+01
      5   0.722788D+01  0.120795D+02  0.103630D+02  0.146450D+02  0.227399D+00
      6   0.103006D+02  0.109496D+02  0.142254D+02  0.165541D+02 -0.518937D-01
               146           147           148           149           150 
      1  -0.565127D+01  0.976286D+00 -0.364734D+01 -0.240964D+02  0.427726D+01
      2   0.687787D+01 -0.149575D+01  0.337335D+01  0.471523D+02 -0.113835D+02
      3  -0.122661D+01  0.519464D+00  0.273997D+00 -0.230559D+02  0.710624D+01
      4   0.565672D+01  0.304784D+00  0.644697D+01 -0.189930D+02  0.332191D+01
      5   0.192892D+01  0.225531D+01  0.149739D+01  0.541346D+01 -0.459042D+01
      6  -0.108828D+01 -0.509954D-02 -0.979561D+00 -0.161245D+01  0.768595D+01
               151           152           153           154           155 
      1   0.227135D+01  0.105925D+02 -0.410182D+01 -0.974347D+01 -0.477970D+01
      2  -0.144502D+01 -0.205443D+02  0.795286D+01 -0.228316D+01  0.580969D+01
      3  -0.826328D+00  0.995184D+01 -0.385104D+01  0.120266D+02 -0.102999D+01
      4  -0.192978D+01  0.889885D+01 -0.487096D+01  0.138123D+02 -0.571500D+00
      5   0.201068D+01 -0.551024D+01  0.364016D+01  0.672527D+01  0.359695D+00
      6  -0.436403D+00  0.734678D+01 -0.712237D+01  0.482970D+01  0.391879D+01
               156           157           158           159           160 
      1  -0.104558D+02  0.109700D+00 -0.222599D+01  0.284596D+01 -0.868529D+01
      2  -0.681620D+00  0.264607D+01  0.192048D+01 -0.417342D+00 -0.860224D+00
      3   0.111374D+02 -0.275577D+01  0.305508D+00 -0.242862D+01  0.954552D+01
      4   0.606412D+01 -0.819137D+00  0.211975D+01  0.561314D+00  0.706209D+01
      5   0.361101D+01 -0.512770D-01  0.217647D+01  0.620615D+00  0.492051D+01
      6   0.558320D+01  0.237603D+01 -0.145889D+01  0.145133D+01  0.368484D+01
               161           162           163           164           165 
      1   0.685701D-01 -0.100456D+02  0.109373D+02  0.255926D+00 -0.255012D+01
      2  -0.841168D+00 -0.271944D+01 -0.106737D+02 -0.157632D+01  0.745016D+01
      3   0.772598D+00  0.127651D+02 -0.263596D+00  0.132039D+01 -0.490004D+01
      4   0.632959D+00  0.304502D+01 -0.180218D+02  0.145833D+02  0.145769D+02
      5  -0.130059D+01  0.145178D+00 -0.231689D+02  0.113234D+02  0.218380D+02
      6   0.378922D+01  0.657123D+01  0.123759D+02 -0.109817D+02 -0.130639D+02
               166           167           168           169           170 
      1   0.897726D+00 -0.292674D+01 -0.202703D+01 -0.357693D+01 -0.335754D+01
      2  -0.210178D+01  0.539497D+01  0.103724D+01  0.834526D+01 -0.884787D+00
      3   0.120406D+01 -0.246823D+01  0.989790D+00 -0.476833D+01  0.424233D+01
      4   0.974131D+01 -0.109174D+02 -0.806087D+01  0.146214D+02 -0.110895D+02
      5   0.574306D+01 -0.773733D+01 -0.635554D+01  0.215398D+02 -0.127677D+02
      6  -0.758602D+01  0.817968D+01  0.989925D+01 -0.125537D+02  0.140594D+02
               171           172           173           174           175 
      1  -0.642493D+01  0.670213D+02 -0.135984D+02 -0.200612D+02 -0.121377D+02
      2  -0.989018D+01 -0.314928D+02  0.386642D+01  0.895799D+01  0.237186D+01
      3   0.163151D+02 -0.355285D+02  0.973194D+01  0.111032D+02  0.976581D+01
      4  -0.154782D+02 -0.226216D+02  0.144966D+02  0.835837D+01  0.186018D+02
      5  -0.278869D+02 -0.207447D+02  0.639367D+01  0.158758D+02  0.556161D+01
      6   0.212069D+02  0.469895D+01 -0.146054D+01 -0.310573D+01 -0.158709D+01
               176           177           178           179           180 
      1   0.994891D+01  0.547252D+01 -0.402562D+02  0.101801D+02  0.159249D+02
      2  -0.239201D+01 -0.175919D+01  0.191564D+02 -0.356580D+01 -0.900643D+01
      3  -0.755690D+01 -0.371333D+01  0.210998D+02 -0.661428D+01 -0.691848D+01
      4  -0.117094D+02 -0.361929D+01  0.160248D+02 -0.937544D+01 -0.825767D+01
      5  -0.265518D+01 -0.485943D+01  0.231762D+02 -0.735256D+01 -0.209754D+02
      6   0.822040D+00  0.401786D+01 -0.480807D+01  0.442676D+01  0.491136D+01
               181           182           183           184           185 
      1   0.219042D+02  0.106471D+02  0.807814D+01  0.220853D+02  0.862973D+01
      2  -0.136656D+02 -0.718408D+01 -0.707980D+01 -0.140643D+02 -0.593641D+01
      3  -0.823855D+01 -0.346301D+01 -0.998342D+00 -0.802104D+01 -0.269332D+01
      4   0.104704D+02  0.100570D+02  0.779401D+01  0.141275D+02  0.231669D+02
      5   0.113484D+02  0.911208D+01  0.122247D+02  0.153083D+02  0.149748D+02
      6   0.304769D+01  0.152607D+01  0.118909D+01  0.245727D+01  0.503074D+01
               186           187           188           189           190 
      1   0.102721D+02  0.103538D+02  0.683871D+01  0.931488D+01  0.502545D+00
      2  -0.101456D+02 -0.982989D+01 -0.768997D+01 -0.123373D+02  0.570174D+00
      3  -0.126534D+00 -0.523881D+00  0.851265D+00  0.302239D+01 -0.107272D+01
      4   0.142637D+02  0.841677D+01  0.132555D+02  0.906171D+01 -0.486378D+01
      5   0.154850D+02  0.184862D+02  0.104810D+02  0.221849D+02  0.870374D+00
      6   0.496866D+01  0.109378D+01  0.552105D+01  0.247171D+01 -0.240406D+01
               191           192           193           194           195 
      1  -0.772893D+01  0.326246D+01 -0.953047D+01 -0.867321D+01  0.775772D+01
      2   0.448818D+01 -0.133364D+01  0.282513D+01  0.139005D+02 -0.533369D+01
      3   0.324076D+01 -0.192882D+01  0.670534D+01 -0.522734D+01 -0.242403D+01
      4   0.299240D+01 -0.167859D+00  0.145980D+02 -0.330999D+02  0.198935D+02
      5  -0.448092D+00  0.249773D+01 -0.668090D+01  0.196118D+02 -0.169789D+02
      6  -0.109825D+01  0.708203D+00  0.426918D+01 -0.176155D+02  0.144932D+02
               196           197           198           199           200 
      1   0.353318D+01  0.846343D+01 -0.507808D+01 -0.148308D+01  0.141435D+01
      2  -0.251012D+01 -0.539423D+01 -0.143696D+01 -0.250156D+00  0.576148D-01
      3  -0.102306D+01 -0.306920D+01  0.651505D+01  0.173324D+01 -0.147196D+01
      4  -0.590227D+01  0.202487D+02 -0.168253D+02  0.305013D+01  0.511726D+01
      5   0.116488D+02 -0.169211D+02  0.228612D+02 -0.144605D+01 -0.228013D+01
      6  -0.393489D+01  0.146270D+02 -0.148805D+02 -0.222255D+01 -0.114958D+01
               201           202           203           204           205 
      1  -0.117082D+01  0.164341D+01 -0.120345D+02  0.612570D+01 -0.609984D+00
      2   0.477371D+00  0.124517D-01  0.108906D+02 -0.184291D+01  0.311371D+01
      3   0.693453D+00 -0.165586D+01  0.114386D+01 -0.428279D+01 -0.250372D+01
      4  -0.132462D+01  0.511210D+01  0.833801D+01 -0.349620D+01 -0.872146D+00
      5   0.180123D+01 -0.286374D+01 -0.501306D+01  0.319430D+01  0.184018D+01
      6   0.709312D+00 -0.124854D+01 -0.112227D+02  0.695038D+01  0.201176D+01
               206           207           208           209           210 
      1   0.509235D+01 -0.265228D+01 -0.985645D+00 -0.237441D+01  0.976548D+00
      2  -0.225387D+01  0.988005D+00  0.271592D+01  0.150420D+01 -0.528835D+00
      3  -0.283848D+01  0.166428D+01 -0.173028D+01  0.870211D+00 -0.447713D+00
      4  -0.194388D+01  0.972179D+00 -0.150625D+01  0.445753D+01 -0.113931D+01
      5   0.227024D+01 -0.933798D+00  0.111724D+01 -0.578194D+00  0.630018D+00
      6   0.553837D+01 -0.453594D+01 -0.999026D+00  0.809323D+00  0.879214D-01
               211           212           213           214           215 
      1  -0.489594D+01 -0.188283D+02  0.454439D+01  0.276088D+01  0.582100D+01
      2   0.281101D+01  0.238519D+02 -0.406307D+01 -0.404800D+00 -0.578449D+01
      3   0.208493D+01 -0.502364D+01 -0.481318D+00 -0.235608D+01 -0.365121D-01
      4   0.270292D+01 -0.164775D+02  0.374056D+01 -0.185324D+01  0.569671D+01
      5  -0.696824D+00  0.306330D+01 -0.255264D+01 -0.476783D+00 -0.243942D+01
      6   0.793131D+00 -0.335327D+01  0.487429D+01  0.150740D+01  0.421776D+01
               216           217           218           219           220 
      1  -0.461821D+01  0.558127D+01  0.584426D+01 -0.658995D+01  0.404689D+01
      2   0.355930D+01 -0.432969D+01 -0.451944D+01  0.228358D+01 -0.227791D+01
      3   0.105890D+01 -0.125157D+01 -0.132482D+01  0.430637D+01 -0.176898D+01
      4  -0.298042D+01  0.287577D+01 -0.255585D+01 -0.125766D+01  0.144910D+01
      5   0.211502D+01 -0.398436D+01  0.197614D+00  0.580527D+00 -0.972462D-01
      6  -0.344165D+01 -0.239562D+01  0.853221D+00 -0.194008D+01 -0.105062D+01
               221           222           223           224           225 
      1  -0.732449D+01  0.403276D+01 -0.834208D+01  0.355239D+01 -0.169043D+02
      2   0.485534D+01 -0.332176D+01  0.490305D+01 -0.147611D+01 -0.771071D+01
      3   0.246915D+01 -0.710999D+00  0.343903D+01 -0.207628D+01  0.246150D+02
      4   0.561136D+01 -0.611396D+01 -0.871561D+01 -0.132804D+02  0.117546D+02
      5  -0.643278D+01  0.614924D+01  0.100575D+02  0.135680D+02 -0.472865D+02
      6  -0.451024D+01  0.841091D+01  0.329327D+01  0.114097D+02 -0.228597D+02
               226           227           228           229           230 
      1   0.865436D+02  0.199045D+02  0.553035D+01  0.973954D+01  0.935843D+01
      2  -0.391439D+02 -0.556820D+01 -0.226760D+01 -0.523775D+00 -0.943995D+00
      3  -0.473997D+02 -0.143363D+02 -0.326276D+01 -0.921577D+01 -0.841444D+01
      4   0.417772D+02  0.216843D+02  0.293533D+01  0.167473D+02  0.105798D+02
      5   0.110375D+01  0.534040D+00  0.117549D+02  0.874094D+00  0.221598D+01
      6   0.260590D+01  0.279722D+00  0.396317D+01 -0.317150D-01  0.133409D+01
               231           232           233           234           235 
      1   0.444078D+00  0.121831D+02  0.258039D+01  0.805878D+01 -0.684266D+01
      2   0.109065D+01 -0.555785D+01  0.602877D+00 -0.492011D+01  0.720550D+01
      3  -0.153473D+01 -0.662523D+01 -0.318327D+01 -0.313867D+01 -0.362831D+00
      4   0.283931D+01  0.702094D+01  0.561042D+01  0.636000D+01 -0.226945D+00
      5   0.218276D+01  0.121997D+02  0.472481D+01  0.193757D+01  0.499767D+01
      6   0.193970D+01  0.419253D+01  0.283838D+01  0.631703D+00  0.361386D+01
               236           237           238           239           240 
      1   0.157396D+02  0.817078D+01  0.153453D+02 -0.236989D+02 -0.752154D+01
      2  -0.159660D+02 -0.589246D+01 -0.106243D+02  0.306393D+02  0.917742D+01
      3   0.226455D+00 -0.227831D+01 -0.472101D+01 -0.694043D+01 -0.165588D+01
      4  -0.867804D+01  0.666080D+00  0.153227D+01  0.225244D+02  0.614701D+01
      5  -0.148700D+01 -0.492007D+01 -0.241796D+01  0.781011D+01  0.835366D+01
      6  -0.300585D+01 -0.457128D+01 -0.183492D+01  0.744975D+01  0.721211D+01
               241           242           243 
      1   0.948098D+01 -0.852658D+01 -0.117528D+02
      2  -0.512550D+01  0.115545D+02  0.779163D+01
      3  -0.435548D+01 -0.302795D+01  0.396118D+01
      4   0.340615D+01  0.113351D+02  0.725323D+01
      5  -0.146982D+01  0.938563D+01  0.510078D+01
      6  -0.220680D+01  0.963416D+01  0.608846D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x         -0.135546D+01     -0.344525D+01     -0.114921D+02
   y          0.754877D+00      0.191871D+01      0.640011D+01
   z         -0.522841D+00     -0.132893D+01     -0.443283D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.156097D+03      0.231311D+02      0.257369D+02
   yx        -0.454232D+01     -0.673103D+00     -0.748928D+00
   yy         0.113939D+03      0.168841D+02      0.187861D+02
   zx         0.647779D+01      0.959910D+00      0.106804D+01
   zy        -0.398160D+01     -0.590013D+00     -0.656478D+00
   zz         0.980025D+02      0.145225D+02      0.161584D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127697D+03      0.189228D+02      0.210544D+02
   aniso      0.572645D+02      0.848572D+01      0.944164D+01
   xx         0.162822D+03      0.241278D+02      0.268458D+02
   yx        -0.630725D+01     -0.934639D+00     -0.103993D+01
   yy         0.117784D+03      0.174537D+02      0.194199D+02
   zx         0.726852D+01      0.107708D+01      0.119842D+01
   zy        -0.407650D+01     -0.604074D+00     -0.672123D+00
   zz         0.102486D+03      0.151868D+02      0.168976D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.06667301         -2.48974307          3.06040627
     6         -1.85502832          0.36453596          3.27954930
     6          0.30716853          1.73647588          1.70476399
     6          1.51936924          0.12999996         -0.25463645
     6          1.19001027          0.24521628         -2.75292087
     6          2.40750353         -1.44849845         -4.60593350
     8          1.96336560         -1.19610768         -6.84837253
     6         -1.76216538          1.17117838          6.04229431
     6         -3.80812930          1.92325358          1.73934810
     6         -1.67651150          3.70313849          0.84555525
     6          4.19227983         -3.49115380         -3.68907696
     1         -5.35530493          2.76204018          2.81087152
     1         -4.59984821          0.82766172          0.18432697
     1          1.79612826          2.48223289          2.92913049
     1         -1.67702146          4.23438129         -1.13979013
     1         -1.56153376          5.42664683          1.96392515
     1         -0.48951784         -3.44176277          3.99555626
     1         -2.11024358         -3.10015099          1.09249783
     1         -3.80812153         -3.13743886          3.96240848
     1         -3.45985660          0.54634865          7.03802592
     1         -1.63823526          3.22196652          6.23118526
     1         -0.12582657          0.34625302          6.99477331
     1          2.77774484         -1.30813145          0.49486665
     1         -0.04473129          1.63721051         -3.60562643
     1          5.77749407         -2.67329479         -2.65183902
     1          4.90098797         -4.52768878         -5.31481325
     1          3.22401474         -4.79384777         -2.41461386

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163722D+01      0.416139D+01      0.138809D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.108239D+03      0.160394D+02      0.178462D+02
   yx        -0.118505D+02     -0.175606D+01     -0.195388D+01
   yy         0.110524D+03      0.163779D+02      0.182229D+02
   zx        -0.155677D+02     -0.230689D+01     -0.256676D+01
   zy         0.805398D+01      0.119348D+01      0.132792D+01
   zz         0.149276D+03      0.221204D+02      0.246122D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127697D+03      0.189228D+02      0.210544D+02
   aniso      0.572645D+02      0.848572D+01      0.944164D+01
   xx         0.112112D+03      0.166133D+02      0.184848D+02
   yx        -0.111871D+02     -0.165776D+01     -0.184451D+01
   yy         0.114026D+03      0.168969D+02      0.188003D+02
   zx        -0.160476D+02     -0.237801D+01     -0.264589D+01
   zy         0.821761D+01      0.121772D+01      0.135490D+01
   zz         0.156954D+03      0.232581D+02      0.258781D+02

 ----------------------------------------------------------------------
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 IT WAS A GAME, A VERY INTERESTING GAME ONE COULD
 PLAY.  WHENEVER ONE SOLVED ONE OF THE LITTLE PROBLEMS,
 ONE COULD WRITE A PAPER ABOUT IT.  IT WAS VERY EASY IN
 THOSE DAYS FOR ANY SECOND-RATE PHYSICIST TO DO
 FIRST-RATE WORK.  THERE HAS NOT BEEN SUCH A GLORIOUS
 TIME SINCE.  IT IS VERY DIFFICULT NOW FOR A FIRST-RATE
 PHYSICIST TO DO SECOND-RATE WORK.
     P.A.M. DIRAC, ON THE EARLY DAYS OF QUANTUM MECHANICS
                   DIRECTIONS IN PHYSICS, 1978, P. 7
 Job cpu time:       0 days  5 hours 25 minutes 35.4 seconds.
 Elapsed time:       0 days  0 hours 40 minutes 48.8 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:31:21 2021.
